Dtxsid00590996 (C35H30O6)

Structural Information

Molecular Formula

SMILES

C=CC(=O)OCCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCCOC(=O)C=C

InChI

InChI=1S/C35H30O6/c1-3-33(36)40-23-21-38-27-17-13-25(14-18-27)35(26-15-19-28(20-16-26)39-22-24-41-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35/h3-20H,1-2,21-24H2

InChIKey

YCPMSWJCWKUXRH-UHFFFAOYSA-N

Compound name

2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate

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]+	547.211476	239.3
[M+Na]+	569.193418	243.7
[M-H]-	545.196924	249.4
[M+NH4]+	564.238023	248.1
[M+K]+	585.167358	237.7
[M+H-H2O]+	529.201460	227.3
[M+HCOO]-	591.202401	256.6
[M+CH3COO]-	605.218051	248.9
[M+Na-2H]-	567.178866	237.4
[M]+	546.20365142	245.9
[M]-	546.20474858	245.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

547.211476

239.3

[M+Na]+

569.193418

243.7

[M-H]-

545.196924

249.4

[M+NH4]+

564.238023

248.1

[M+K]+

585.167358

237.7

[M+H-H2O]+

529.201460

227.3

[M+HCOO]-

591.202401

256.6

[M+CH3COO]-

605.218051

248.9

[M+Na-2H]-

567.178866

237.4

[M]+

546.20365142

245.9

[M]-

546.20474858

245.9

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

Dtxsid00590996

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe