CID 165587573

2-bromomethanesulfonylpropane

Structural Information

Molecular Formula
C4H9BrO2S
SMILES
CC(C)S(=O)(=O)CBr
InChI
InChI=1S/C4H9BrO2S/c1-4(2)8(6,7)3-5/h4H,3H2,1-2H3
InChIKey
DFLFXCGSXIHTPY-UHFFFAOYSA-N
Compound name
2-(bromomethylsulfonyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.95065 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.95793 125.0
[M+Na]+ 222.93987 137.4
[M-H]- 198.94337 128.9
[M+NH4]+ 217.98447 148.5
[M+K]+ 238.91381 127.1
[M+H-H2O]+ 182.94791 126.4
[M+HCOO]- 244.94885 140.3
[M+CH3COO]- 258.96450 179.2
[M+Na-2H]- 220.92532 131.0
[M]+ 199.95010 146.2
[M]- 199.95120 146.2
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

No patent data available for this compound.