CID 87271861

(2z)-3-bromoprop-2-ene-1-sulfonyl chloride

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]+ 218.88767 123.8
[M+Na]+ 240.86961 138.2
[M-H]- 216.87311 128.1
[M+NH4]+ 235.91421 147.6
[M+K]+ 256.84355 125.1
[M+H-H2O]+ 200.87765 126.5
[M+HCOO]- 262.87859 136.4
[M+CH3COO]- 276.89424 177.8
[M+Na-2H]- 238.85506 131.2
[M]+ 217.87984 146.1
[M]- 217.88094 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.