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

4
Patents

240.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 151.1
[M+Na]+ 263.06786 159.8
[M-H]- 239.07136 157.3
[M+NH4]+ 258.11246 168.1
[M+K]+ 279.04180 156.0
[M+H-H2O]+ 223.07590 144.3
[M+HCOO]- 285.07684 173.8
[M+CH3COO]- 299.09249 191.3
[M+Na-2H]- 261.05331 155.0
[M]+ 240.07809 152.2
[M]- 240.07919 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