CID 15145874

5925-71-3

Structural Information

Molecular Formula
C3H5ClOS
SMILES
CSC(=O)CCl
InChI
InChI=1S/C3H5ClOS/c1-6-3(5)2-4/h2H2,1H3
InChIKey
QASUKTWOCVXMIO-UHFFFAOYSA-N
Compound name
S-methyl 2-chloroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

123.97496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.98224 118.3
[M+Na]+ 146.96418 127.5
[M-H]- 122.96768 119.5
[M+NH4]+ 142.00878 142.1
[M+K]+ 162.93812 125.4
[M+H-H2O]+ 106.97222 115.4
[M+HCOO]- 168.97316 132.5
[M+CH3COO]- 182.98881 167.3
[M+Na-2H]- 144.94963 121.8
[M]+ 123.97441 122.1
[M]- 123.97551 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe