CID 22499345

1-bromocyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H4BrClO2S
SMILES
C1CC1(S(=O)(=O)Cl)Br
InChI
InChI=1S/C3H4BrClO2S/c4-3(1-2-3)8(5,6)7/h1-2H2
InChIKey
UJITVSWOXLUBDW-UHFFFAOYSA-N
Compound name
1-bromocyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

217.88039 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.887666 121.8
[M+Na]+ 240.869608 137.5
[M-H]- 216.873114 130.0
[M+NH4]+ 235.914213 142.6
[M+K]+ 256.843548 125.7
[M+H-H2O]+ 200.877650 124.7
[M+HCOO]- 262.878591 134.5
[M+CH3COO]- 276.894241 180.9
[M+Na-2H]- 238.855056 131.1
[M]+ 217.87984142 145.6
[M]- 217.88093858 145.6
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

patents stripe