2-(4-(2,3-dicarboxyphenoxy)phenyl)-2-(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride (C31H20O8)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)OC3=O)C4=CC=C(C=C4)OC5=CC=CC6=C5C(=O)OC6=O

InChI

InChI=1S/C31H20O8/c1-31(2,17-6-10-19(11-7-17)36-21-14-15-22-24(16-21)29(34)38-27(22)32)18-8-12-20(13-9-18)37-25-5-3-4-23-26(25)30(35)39-28(23)33/h3-16H,1-2H3

InChIKey

KCEJBGHRVGDEIW-UHFFFAOYSA-N

Compound name

4-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	521.123116	221.2
[M+Na]+	543.105058	229.7
[M-H]-	519.108564	238.4
[M+NH4]+	538.149663	229.1
[M+K]+	559.078998	228.5
[M+H-H2O]+	503.113100	213.4
[M+HCOO]-	565.114041	238.2
[M+CH3COO]-	579.129691	231.0
[M+Na-2H]-	541.090506	220.5
[M]+	520.11529142	229.0
[M]-	520.11638858	229.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.123116

221.2

[M+Na]+

543.105058

229.7

[M-H]-

519.108564

238.4

[M+NH4]+

538.149663

229.1

[M+K]+

559.078998

228.5

[M+H-H2O]+

503.113100

213.4

[M+HCOO]-

565.114041

238.2

[M+CH3COO]-

579.129691

231.0

[M+Na-2H]-

541.090506

220.5

[M]+

520.11529142

229.0

[M]-

520.11638858

229.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-(4-(2,3-dicarboxyphenoxy)phenyl)-2-(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe