CID 11008040

Benzenesulfenyl chloride

Structural Information

Molecular Formula
C6H5ClS
SMILES
C1=CC=C(C=C1)SCl
InChI
InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKey
JWUKZUIGOJBEPC-UHFFFAOYSA-N
Compound name
phenyl thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1378
Patents

143.98004 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.98732 121.6
[M+Na]+ 166.96926 131.4
[M-H]- 142.97276 125.9
[M+NH4]+ 162.01386 144.7
[M+K]+ 182.94320 127.6
[M+H-H2O]+ 126.97730 117.7
[M+HCOO]- 188.97824 137.4
[M+CH3COO]- 202.99389 170.3
[M+Na-2H]- 164.95471 127.6
[M]+ 143.97949 124.5
[M]- 143.98059 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe