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

8
Patents

217.88039 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.88767 121.8
[M+Na]+ 240.86961 137.5
[M-H]- 216.87311 130.0
[M+NH4]+ 235.91421 142.6
[M+K]+ 256.84355 125.7
[M+H-H2O]+ 200.87765 124.7
[M+HCOO]- 262.87859 134.5
[M+CH3COO]- 276.89424 180.9
[M+Na-2H]- 238.85506 131.1
[M]+ 217.87984 145.6
[M]- 217.88094 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