CID 157735

2-chloroethyl vinyl sulfide

Structural Information

Molecular Formula
C4H7ClS
SMILES
C=CSCCCl
InChI
InChI=1S/C4H7ClS/c1-2-6-4-3-5/h2H,1,3-4H2
InChIKey
KCCNHHACDJEDCX-UHFFFAOYSA-N
Compound name
1-chloro-2-ethenylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

121.9957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.002976 119.2
[M+Na]+ 144.984918 128.3
[M-H]- 120.988424 120.1
[M+NH4]+ 140.029523 143.2
[M+K]+ 160.958858 125.2
[M+H-H2O]+ 104.992960 116.2
[M+HCOO]- 166.993901 133.8
[M+CH3COO]- 181.009551 168.3
[M+Na-2H]- 142.970366 123.3
[M]+ 121.99515142 122.7
[M]- 121.99624858 122.7
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