CID 554404

Methyl chloromethanethioate

Structural Information

Molecular Formula
C2H3ClOS
SMILES
COC(=S)Cl
InChI
InChI=1S/C2H3ClOS/c1-4-2(3)5/h1H3
InChIKey
HXFVUECWGARNTL-UHFFFAOYSA-N
Compound name
O-methyl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

720
Patents

109.95931 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.96659 116.7
[M+Na]+ 132.94853 128.4
[M+NH4]+ 127.99313 126.3
[M+K]+ 148.92247 120.8
[M-H]- 108.95203 116.8
[M+Na-2H]- 130.93398 121.0
[M]+ 109.95876 119.0
[M]- 109.95986 119.0
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