CID 11344231

54820-26-7

Structural Information

Molecular Formula
C3H5BrOS
SMILES
CC(=O)SCBr
InChI
InChI=1S/C3H5BrOS/c1-3(5)6-2-4/h2H2,1H3
InChIKey
RLEILGCPRGJZND-UHFFFAOYSA-N
Compound name
S-(bromomethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

167.92445 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.93173 115.1
[M+Na]+ 190.91367 116.9
[M+NH4]+ 185.95827 120.6
[M+K]+ 206.88761 116.7
[M-H]- 166.91717 114.0
[M+Na-2H]- 188.89912 117.0
[M]+ 167.92390 114.1
[M]- 167.92500 114.1
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