CID 89413134

1-bromo-2-methanesulfinylethane

Structural Information

Molecular Formula
C3H7BrOS
SMILES
CS(=O)CCBr
InChI
InChI=1S/C3H7BrOS/c1-6(5)3-2-4/h2-3H2,1H3
InChIKey
YIXKGNQEGITUGN-UHFFFAOYSA-N
Compound name
1-bromo-2-methylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.9401 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.94738 117.4
[M+Na]+ 192.92932 129.8
[M-H]- 168.93282 121.4
[M+NH4]+ 187.97392 142.1
[M+K]+ 208.90326 119.7
[M+H-H2O]+ 152.93736 118.8
[M+HCOO]- 214.93830 134.1
[M+CH3COO]- 228.95395 175.2
[M+Na-2H]- 190.91477 123.3
[M]+ 169.93955 138.1
[M]- 169.94065 138.1
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