CID 12817185

(1e)-3-bromo-1-methanesulfonylprop-1-ene

Structural Information

Molecular Formula
C4H7BrO2S
SMILES
CS(=O)(=O)/C=C/CBr
InChI
InChI=1S/C4H7BrO2S/c1-8(6,7)4-2-3-5/h2,4H,3H2,1H3/b4-2+
InChIKey
OVAXXBFZRNVDJL-DUXPYHPUSA-N
Compound name
(E)-3-bromo-1-methylsulfonylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.93501 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.94229 123.5
[M+Na]+ 220.92423 136.6
[M-H]- 196.92773 127.5
[M+NH4]+ 215.96883 147.2
[M+K]+ 236.89817 125.3
[M+H-H2O]+ 180.93227 125.1
[M+HCOO]- 242.93321 140.0
[M+CH3COO]- 256.94886 176.9
[M+Na-2H]- 218.90968 130.6
[M]+ 197.93446 144.6
[M]- 197.93556 144.6
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.