CID 89629401

2-acetyl-4-bromobenzaldehyde

Structural Information

Molecular Formula
C9H7BrO2
SMILES
CC(=O)C1=C(C=CC(=C1)Br)C=O
InChI
InChI=1S/C9H7BrO2/c1-6(12)9-4-8(10)3-2-7(9)5-11/h2-5H,1H3
InChIKey
BWOIHJIMKNXRLD-UHFFFAOYSA-N
Compound name
2-acetyl-4-bromobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.96294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 136.6
[M+Na]+ 248.95216 140.5
[M+NH4]+ 243.99676 141.3
[M+K]+ 264.92610 140.7
[M-H]- 224.95566 136.9
[M+Na-2H]- 246.93761 140.3
[M]+ 225.96239 136.0
[M]- 225.96349 136.0
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