CID 121052

2-phenylbenzaldehyde

Structural Information

Molecular Formula
C13H10O
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C=O
InChI
InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H
InChIKey
LCRCBXLHWTVPEQ-UHFFFAOYSA-N
Compound name
2-phenylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3328
Patents

182.07317 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08045 138.4
[M+Na]+ 205.06239 154.7
[M+NH4]+ 200.10699 148.5
[M+K]+ 221.03633 145.7
[M-H]- 181.06589 144.0
[M+Na-2H]- 203.04784 149.8
[M]+ 182.07262 142.5
[M]- 182.07372 142.5
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