CID 245296

1-bromo-2-(ethylsulfanyl)ethane

Structural Information

Molecular Formula
C4H9BrS
SMILES
CCSCCBr
InChI
InChI=1S/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
WNKBNVXUYLXITH-UHFFFAOYSA-N
Compound name
1-bromo-2-ethylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

167.96083 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.96811 119.0
[M+Na]+ 190.95005 131.2
[M-H]- 166.95355 122.8
[M+NH4]+ 185.99465 144.0
[M+K]+ 206.92399 120.7
[M+H-H2O]+ 150.95809 120.4
[M+HCOO]- 212.95903 136.0
[M+CH3COO]- 226.97468 176.4
[M+Na-2H]- 188.93550 125.6
[M]+ 167.96028 140.0
[M]- 167.96138 140.0
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