CID 2759543

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

Structural Information

Molecular Formula
C14H12O2
SMILES
COC1=CC=CC=C1C2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H12O2/c1-16-14-5-3-2-4-13(14)12-8-6-11(10-15)7-9-12/h2-10H,1H3
InChIKey
CFGCKFDEJVKBCY-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 144.5
[M+Na]+ 235.072938 153.3
[M-H]- 211.076444 151.7
[M+NH4]+ 230.117543 163.3
[M+K]+ 251.046878 149.9
[M+H-H2O]+ 195.080980 137.4
[M+HCOO]- 257.081921 169.6
[M+CH3COO]- 271.097571 187.5
[M+Na-2H]- 233.058386 151.2
[M]+ 212.08317142 146.5
[M]- 212.08426858 146.5
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