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

22561
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

literature stripe

Patent stripe

patents stripe