CID 10040

Thiophosgene

Structural Information

Molecular Formula
CCl2S
SMILES
C(=S)(Cl)Cl
InChI
InChI=1S/CCl2S/c2-1(3)4
InChIKey
ZWZVWGITAAIFPS-UHFFFAOYSA-N
Compound name
thiocarbonyl dichloride
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

50
References

24918
Patents

113.909775 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.917051 111.2
[M+Na]+ 136.898993 121.3
[M-H]- 112.902499 112.1
[M+NH4]+ 131.943598 135.5
[M+K]+ 152.872933 117.9
[M+H-H2O]+ 96.907035 109.7
[M+HCOO]- 158.907976 120.7
[M+CH3COO]- 172.923626 165.2
[M+Na-2H]- 134.884441 115.0
[M]+ 113.90922642 113.5
[M]- 113.91032358 113.5
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