CID 11126256

(methylthio)acetyl chloride

Structural Information

Molecular Formula
C3H5ClOS
SMILES
CSCC(=O)Cl
InChI
InChI=1S/C3H5ClOS/c1-6-2-3(4)5/h2H2,1H3
InChIKey
OWXCYFUNGFTAMS-UHFFFAOYSA-N
Compound name
2-methylsulfanylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

123.97496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.98224 120.9
[M+Na]+ 146.96418 132.3
[M+NH4]+ 142.00878 130.3
[M+K]+ 162.93812 124.6
[M-H]- 122.96768 120.9
[M+Na-2H]- 144.94963 124.9
[M]+ 123.97441 123.2
[M]- 123.97551 123.2
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