CID 1392851

3-(2-bromophenyl)benzaldehyde

Structural Information

Molecular Formula
C13H9BrO
SMILES
C1=CC=C(C(=C1)C2=CC=CC(=C2)C=O)Br
InChI
InChI=1S/C13H9BrO/c14-13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-15/h1-9H
InChIKey
QZQBJRBIGFMCJP-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.98367 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.990946 147.8
[M+Na]+ 282.972888 159.8
[M-H]- 258.976394 157.4
[M+NH4]+ 278.017493 168.4
[M+K]+ 298.946828 148.0
[M+H-H2O]+ 242.980930 147.6
[M+HCOO]- 304.981871 170.4
[M+CH3COO]- 318.997521 192.3
[M+Na-2H]- 280.958336 155.9
[M]+ 259.98312142 166.7
[M]- 259.98421858 166.7
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