CID 125424460

3-(phenylsulfanyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClO2S2
SMILES
C1=CC=C(C=C1)SC2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClO2S2/c13-17(14,15)12-8-4-7-11(9-12)16-10-5-2-1-3-6-10/h1-9H
InChIKey
ZCNSERGYFHACLU-UHFFFAOYSA-N
Compound name
3-phenylsulfanylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.97324 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98052 157.0
[M+Na]+ 306.96246 167.2
[M-H]- 282.96596 164.2
[M+NH4]+ 302.00706 174.4
[M+K]+ 322.93640 160.2
[M+H-H2O]+ 266.97050 151.7
[M+HCOO]- 328.97144 166.3
[M+CH3COO]- 342.98709 192.2
[M+Na-2H]- 304.94791 160.6
[M]+ 283.97269 161.7
[M]- 283.97379 161.7
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.