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

24834
Patents

113.909775 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.91705 111.2
[M+Na]+ 136.89899 121.3
[M-H]- 112.90250 112.1
[M+NH4]+ 131.94360 135.5
[M+K]+ 152.87293 117.9
[M+H-H2O]+ 96.907035 109.7
[M+HCOO]- 158.90798 120.7
[M+CH3COO]- 172.92363 165.2
[M+Na-2H]- 134.88444 115.0
[M]+ 113.90923 113.5
[M]- 113.91032 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.