CID 1394400

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

216.0342 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

patents stripe