CID 11126256

2-(methylsulfanyl)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

1767
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 118.1
[M+Na]+ 146.96418 127.2
[M-H]- 122.96768 119.3
[M+NH4]+ 142.00878 141.8
[M+K]+ 162.93812 125.1
[M+H-H2O]+ 106.97222 115.2
[M+HCOO]- 168.97316 132.3
[M+CH3COO]- 182.98881 167.9
[M+Na-2H]- 144.94963 121.6
[M]+ 123.97441 122.0
[M]- 123.97551 122.0
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