CID 4115076

3,5-diphenylbenzoic acid

Structural Information

Molecular Formula
C19H14O2
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H14O2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKey
KKNFLGHYWGUFHY-UHFFFAOYSA-N
Compound name
3,5-diphenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

274.09937 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 162.7
[M+Na]+ 297.08859 169.7
[M-H]- 273.09209 171.2
[M+NH4]+ 292.13319 177.4
[M+K]+ 313.06253 164.3
[M+H-H2O]+ 257.09663 154.1
[M+HCOO]- 319.09757 184.7
[M+CH3COO]- 333.11322 174.4
[M+Na-2H]- 295.07404 167.4
[M]+ 274.09882 161.2
[M]- 274.09992 161.2
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