CID 12486982

2-bromo-3-methylbutanoyl chloride

Structural Information

Molecular Formula
C5H8BrClO
SMILES
CC(C)C(C(=O)Cl)Br
InChI
InChI=1S/C5H8BrClO/c1-3(2)4(6)5(7)8/h3-4H,1-2H3
InChIKey
MVYUMPZRKNBHOP-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

197.94472 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.95200 131.6
[M+Na]+ 220.93394 143.4
[M-H]- 196.93744 135.0
[M+NH4]+ 215.97854 155.3
[M+K]+ 236.90788 132.3
[M+H-H2O]+ 180.94198 133.7
[M+HCOO]- 242.94292 146.6
[M+CH3COO]- 256.95857 182.4
[M+Na-2H]- 218.91939 136.5
[M]+ 197.94417 151.3
[M]- 197.94527 151.3
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