CID 1392496

3'-bromo-[1,1'-biphenyl]-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe