CID 1392533

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

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

49
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 143.1
[M+Na]+ 239.02342 153.3
[M-H]- 215.02692 150.2
[M+NH4]+ 234.06802 162.7
[M+K]+ 254.99736 147.7
[M+H-H2O]+ 199.03146 137.2
[M+HCOO]- 261.03240 163.7
[M+CH3COO]- 275.04805 186.3
[M+Na-2H]- 237.00887 149.9
[M]+ 216.03365 145.6
[M]- 216.03475 145.6
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