CID 24386

Thionyl chloride

Structural Information

Molecular Formula
Cl2OS
SMILES
O=S(Cl)Cl
InChI
InChI=1S/Cl2OS/c1-4(2)3
InChIKey
FYSNRJHAOHDILO-UHFFFAOYSA-N
Compound name
thionyl dichloride
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

54
References

46734
Patents

117.90469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.911966 110.0
[M+Na]+ 140.893908 120.5
[M-H]- 116.897414 111.1
[M+NH4]+ 135.938513 134.2
[M+K]+ 156.867848 117.7
[M+H-H2O]+ 100.901950 108.6
[M+HCOO]- 162.902891 120.1
[M+CH3COO]- 176.918541 164.2
[M+Na-2H]- 138.879356 114.4
[M]+ 117.90414142 113.4
[M]- 117.90523858 113.4
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