CID 1392843

400745-60-0

Structural Information

Molecular Formula
C13H9ClO
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)Cl)C=O
InChI
InChI=1S/C13H9ClO/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-9H
InChIKey
XAQURWBRLRLXGT-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

216.0342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04148 144.0
[M+Na]+ 239.02342 161.4
[M+NH4]+ 234.06802 154.3
[M+K]+ 254.99736 151.8
[M-H]- 215.02692 149.6
[M+Na-2H]- 237.00887 155.2
[M]+ 216.03365 148.7
[M]- 216.03475 148.7
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