CID 14438250

1-bromocyclobutane-1-carbonyl chloride

Structural Information

Molecular Formula
C5H6BrClO
SMILES
C1CC(C1)(C(=O)Cl)Br
InChI
InChI=1S/C5H6BrClO/c6-5(4(7)8)2-1-3-5/h1-3H2
InChIKey
JZIPVZQDLNPPHN-UHFFFAOYSA-N
Compound name
1-bromocyclobutane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

195.92906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.93634 119.1
[M+Na]+ 218.91828 130.7
[M-H]- 194.92178 125.6
[M+NH4]+ 213.96288 138.7
[M+K]+ 234.89222 122.3
[M+H-H2O]+ 178.92632 118.1
[M+HCOO]- 240.92726 134.9
[M+CH3COO]- 254.94291 181.8
[M+Na-2H]- 216.90373 128.1
[M]+ 195.92851 145.5
[M]- 195.92961 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe