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
6
Annotation Hits

54
References

28796
Patents

117.90469 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.91197 114.9
[M+Na]+ 140.89391 127.3
[M+NH4]+ 135.93851 124.7
[M+K]+ 156.86785 119.6
[M-H]- 116.89741 114.9
[M+Na-2H]- 138.87936 119.6
[M]+ 117.90414 117.6
[M]- 117.90524 117.6
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