CID 13046268

3-[(chloromethyl)sulfanyl]prop-1-ene

Structural Information

Molecular Formula
C4H7ClS
SMILES
C=CCSCCl
InChI
InChI=1S/C4H7ClS/c1-2-3-6-4-5/h2H,1,3-4H2
InChIKey
XAKHMXAZBAGPKG-UHFFFAOYSA-N
Compound name
3-(chloromethylsulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

121.9957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.00298 119.2
[M+Na]+ 144.98492 128.3
[M-H]- 120.98842 120.1
[M+NH4]+ 140.02952 143.2
[M+K]+ 160.95886 125.2
[M+H-H2O]+ 104.99296 116.2
[M+HCOO]- 166.99390 133.8
[M+CH3COO]- 181.00955 168.3
[M+Na-2H]- 142.97037 123.3
[M]+ 121.99515 122.7
[M]- 121.99625 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