CID 26323

N-propyl chlorothioformate

Structural Information

Molecular Formula
C4H7ClOS
SMILES
CCCSC(=O)Cl
InChI
InChI=1S/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKey
FYOPSYJKEHWOBR-UHFFFAOYSA-N
Compound name
S-propyl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

137.99062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.99790 125.4
[M+Na]+ 160.97984 136.7
[M+NH4]+ 156.02444 134.7
[M+K]+ 176.95378 128.6
[M-H]- 136.98334 125.4
[M+Na-2H]- 158.96529 129.2
[M]+ 137.99007 127.7
[M]- 137.99117 127.7
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