CID 592675

Phenyl chlorodithioformate

Structural Information

Molecular Formula
C7H5ClS2
SMILES
C1=CC=C(C=C1)SC(=S)Cl
InChI
InChI=1S/C7H5ClS2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey
XEXIHCWFFNGQDE-UHFFFAOYSA-N
Compound name
phenyl chloromethanedithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

162
Patents

187.95212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95940 130.9
[M+Na]+ 210.94134 140.1
[M-H]- 186.94484 135.0
[M+NH4]+ 205.98594 152.2
[M+K]+ 226.91528 134.6
[M+H-H2O]+ 170.94938 126.9
[M+HCOO]- 232.95032 139.6
[M+CH3COO]- 246.96597 177.5
[M+Na-2H]- 208.92679 132.8
[M]+ 187.95157 133.3
[M]- 187.95267 133.3
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