CID 11106049

20469-89-0

Structural Information

Molecular Formula
C4H6BrClO
SMILES
CC(C)(C(=O)Cl)Br
InChI
InChI=1S/C4H6BrClO/c1-4(2,5)3(6)7/h1-2H3
InChIKey
VUNWOWKGBXOBGY-UHFFFAOYSA-N
Compound name
2-bromo-2-methylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

183.92906 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.93634 127.0
[M+Na]+ 206.91828 140.2
[M-H]- 182.92178 130.8
[M+NH4]+ 201.96288 151.5
[M+K]+ 222.89222 128.9
[M+H-H2O]+ 166.92632 129.8
[M+HCOO]- 228.92726 142.7
[M+CH3COO]- 242.94291 178.2
[M+Na-2H]- 204.90373 135.4
[M]+ 183.92851 147.2
[M]- 183.92961 147.2
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