CID 520309

Isobutyryl bromide

Structural Information

Molecular Formula
C4H7BrO
SMILES
CC(C)C(=O)Br
InChI
InChI=1S/C4H7BrO/c1-3(2)4(5)6/h3H,1-2H3
InChIKey
ICNCZFQYZKPYMS-UHFFFAOYSA-N
Compound name
2-methylpropanoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

832
Patents

149.96803 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 121.2
[M+Na]+ 172.95725 123.0
[M+NH4]+ 168.00185 126.1
[M+K]+ 188.93119 124.5
[M-H]- 148.96075 119.6
[M+Na-2H]- 170.94270 122.9
[M]+ 149.96748 119.7
[M]- 149.96858 119.7
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

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