CID 46839640

4'-formyl-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid

Structural Information

Molecular Formula
C15H12O3
SMILES
CC1=C(C=CC(=C1)C=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H12O3/c1-10-8-11(9-16)2-7-14(10)12-3-5-13(6-4-12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
GDJPELJDSACTQZ-UHFFFAOYSA-N
Compound name
4-(4-formyl-2-methylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 151.1
[M+Na]+ 263.067858 159.8
[M-H]- 239.071364 157.3
[M+NH4]+ 258.112463 168.1
[M+K]+ 279.041798 156.0
[M+H-H2O]+ 223.075900 144.3
[M+HCOO]- 285.076841 173.8
[M+CH3COO]- 299.092491 191.3
[M+Na-2H]- 261.053306 155.0
[M]+ 240.07809142 152.2
[M]- 240.07918858 152.2
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