CID 91998077

68156-09-2

Structural Information

Molecular Formula
C24H17Cl2S2
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2SC3=CC=CC=C3Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C24H17Cl2S2/c25-19-12-4-6-14-21(19)27-22-15-7-9-17-24(22)28(18-10-2-1-3-11-18)23-16-8-5-13-20(23)26/h1-17H/q+1
InChIKey
UUSRCPTXVLJLSK-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-[2-(2-chlorophenyl)sulfanylphenyl]-phenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.01486 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.02214 196.0
[M+Na]+ 462.00408 204.0
[M-H]- 438.00758 207.2
[M+NH4]+ 457.04868 206.7
[M+K]+ 477.97802 189.0
[M+H-H2O]+ 422.01212 190.8
[M+HCOO]- 484.01306 198.8
[M+CH3COO]- 498.02871 204.6
[M+Na-2H]- 459.98953 197.2
[M]+ 439.01431 199.1
[M]- 439.01541 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.