PubChemLite - 722455-72-3 (C34H26O2S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)S(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C34H26O2S2/c1-23-11-17-27(18-12-23)37(35)31-21-15-25-7-3-5-9-29(25)33(31)34-30-10-6-4-8-26(30)16-22-32(34)38(36)28-19-13-24(2)14-20-28/h3-22H,1-2H3

InChIKey

GAWRHNNPYUEUOO-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)sulfinyl-1-[2-(4-methylphenyl)sulfinylnaphthalen-1-yl]naphthalene

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]+	531.14473	226.7
[M+Na]+	553.12667	235.1
[M-H]-	529.13017	239.4
[M+NH4]+	548.17127	234.0
[M+K]+	569.10061	225.9
[M+H-H2O]+	513.13471	215.5
[M+HCOO]-	575.13565	235.7
[M+CH3COO]-	589.15130	233.8
[M+Na-2H]-	551.11212	227.5
[M]+	530.13690	230.9
[M]-	530.13800	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.14473

226.7

[M+Na]+

553.12667

235.1

[M-H]-

529.13017

239.4

[M+NH4]+

548.17127

234.0

[M+K]+

569.10061

225.9

[M+H-H2O]+

513.13471

215.5

[M+HCOO]-

575.13565

235.7

[M+CH3COO]-

589.15130

233.8

[M+Na-2H]-

551.11212

227.5

[M]+

530.13690

230.9

[M]-

530.13800

230.9

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

722455-72-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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