CID 87271861

1937253-54-7

Structural Information

Molecular Formula
C3H4BrClO2S
SMILES
C(/C=C/Br)S(=O)(=O)Cl
InChI
InChI=1S/C3H4BrClO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+
InChIKey
XRVUKQKOWRSTOH-OWOJBTEDSA-N
Compound name
(E)-3-bromoprop-2-ene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.88039 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.887666 123.8
[M+Na]+ 240.869608 138.2
[M-H]- 216.873114 128.1
[M+NH4]+ 235.914213 147.6
[M+K]+ 256.843548 125.1
[M+H-H2O]+ 200.877650 126.5
[M+HCOO]- 262.878591 136.4
[M+CH3COO]- 276.894241 177.8
[M+Na-2H]- 238.855056 131.2
[M]+ 217.87984142 146.1
[M]- 217.88093858 146.1
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

No patent data available for this compound.