CID 13279441

S-isopropyl chlorothioformate

Structural Information

Molecular Formula
C4H7ClOS
SMILES
CC(C)SC(=O)Cl
InChI
InChI=1S/C4H7ClOS/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKey
RQBXSTFDPJDJDH-UHFFFAOYSA-N
Compound name
S-propan-2-yl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

137.99062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.99790 122.6
[M+Na]+ 160.97984 131.2
[M-H]- 136.98334 123.8
[M+NH4]+ 156.02444 145.9
[M+K]+ 176.95378 129.3
[M+H-H2O]+ 120.98788 119.6
[M+HCOO]- 182.98882 135.5
[M+CH3COO]- 197.00447 171.1
[M+Na-2H]- 158.96529 124.6
[M]+ 137.99007 126.3
[M]- 137.99117 126.3
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