CID 554365

1-bromo-2-(methylsulfanyl)ethane

Structural Information

Molecular Formula
C3H7BrS
SMILES
CSCCBr
InChI
InChI=1S/C3H7BrS/c1-5-3-2-4/h2-3H2,1H3
InChIKey
HPEUGDZNJLIBFP-UHFFFAOYSA-N
Compound name
1-bromo-2-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

153.94518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.95246 114.5
[M+Na]+ 176.93440 127.1
[M-H]- 152.93790 118.5
[M+NH4]+ 171.97900 140.0
[M+K]+ 192.90834 116.9
[M+H-H2O]+ 136.94244 116.1
[M+HCOO]- 198.94338 131.9
[M+CH3COO]- 212.95903 173.6
[M+Na-2H]- 174.91985 121.6
[M]+ 153.94463 135.2
[M]- 153.94573 135.2
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