CID 38625

40709-82-8

Structural Information

Molecular Formula
C4H7ClOS
SMILES
C=CS(=O)CCCl
InChI
InChI=1S/C4H7ClOS/c1-2-7(6)4-3-5/h2H,1,3-4H2
InChIKey
WROKGYVSAYYTNV-UHFFFAOYSA-N
Compound name
1-chloro-2-ethenylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

137.99062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.99790 122.0
[M+Na]+ 160.97984 131.0
[M-H]- 136.98334 123.0
[M+NH4]+ 156.02444 145.2
[M+K]+ 176.95378 128.0
[M+H-H2O]+ 120.98788 118.9
[M+HCOO]- 182.98882 136.0
[M+CH3COO]- 197.00447 170.1
[M+Na-2H]- 158.96529 125.0
[M]+ 137.99007 125.6
[M]- 137.99117 125.6
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