CID 1392147

3'-bromo-[1,1'-biphenyl]-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

259.98367 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99095 147.8
[M+Na]+ 282.97289 159.8
[M-H]- 258.97639 157.4
[M+NH4]+ 278.01749 168.4
[M+K]+ 298.94683 148.0
[M+H-H2O]+ 242.98093 147.6
[M+HCOO]- 304.98187 170.4
[M+CH3COO]- 318.99752 192.3
[M+Na-2H]- 280.95834 155.9
[M]+ 259.98312 166.7
[M]- 259.98422 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

literature stripe

Patent stripe

patents stripe