CID 630455

Dibromopyromellitic dianhydride

Structural Information

Molecular Formula

C₁₀Br₂O₆

SMILES

C12=C(C(=C3C(=C1Br)C(=O)OC3=O)Br)C(=O)OC2=O

InChI

InChI=1S/C10Br2O6/c11-5-1-2(8(14)17-7(1)13)6(12)4-3(5)9(15)18-10(4)16

InChIKey

OYIHYCLAXDDYFC-UHFFFAOYSA-N

Compound name

4,8-dibromofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 373.80615 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

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]+	374.81343	150.3
[M+Na]+	396.79537	167.2
[M-H]-	372.79887	161.8
[M+NH4]+	391.83997	170.1
[M+K]+	412.76931	155.5
[M+H-H2O]+	356.80341	160.0
[M+HCOO]-	418.80435	169.3
[M+CH3COO]-	432.82000	212.3
[M+Na-2H]-	394.78082	157.7
[M]+	373.80560	192.6
[M]-	373.80670	192.6

Literature stripe

literature stripe

Patent stripe

patents stripe