CID 1392533

400744-49-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
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

literature stripe

Patent stripe

patents stripe