CID 18056

2941-64-2

Structural Information

Molecular Formula
C3H5ClOS
SMILES
CCSC(=O)Cl
InChI
InChI=1S/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3
InChIKey
QCMHWZUFWLOOGI-UHFFFAOYSA-N
Compound name
S-ethyl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

744
Patents

123.97496 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe