CID 139022481

2344679-21-4

Structural Information

Molecular Formula
C5H9BrO3S
SMILES
CC(C)OS(=O)(=O)C(=C)Br
InChI
InChI=1S/C5H9BrO3S/c1-4(2)9-10(7,8)5(3)6/h4H,3H2,1-2H3
InChIKey
ZEJPKFWVDMRISF-UHFFFAOYSA-N
Compound name
propan-2-yl 1-bromoethenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.94559 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95287 130.8
[M+Na]+ 250.93481 142.6
[M-H]- 226.93831 134.5
[M+NH4]+ 245.97941 153.0
[M+K]+ 266.90875 132.3
[M+H-H2O]+ 210.94285 131.9
[M+HCOO]- 272.94379 145.2
[M+CH3COO]- 286.95944 183.8
[M+Na-2H]- 248.92026 135.5
[M]+ 227.94504 152.5
[M]- 227.94614 152.5
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.