CID 348961

4-(diphenylhydroxymethyl)benzoic acid

Structural Information

Molecular Formula
C20H16O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)O
InChI
InChI=1S/C20H16O3/c21-19(22)15-11-13-18(14-12-15)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,23H,(H,21,22)
InChIKey
CPZWBWPALJLUBJ-UHFFFAOYSA-N
Compound name
4-[hydroxy(diphenyl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

304.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 170.4
[M+Na]+ 327.09917 175.8
[M-H]- 303.10267 177.2
[M+NH4]+ 322.14377 182.8
[M+K]+ 343.07311 170.5
[M+H-H2O]+ 287.10721 162.1
[M+HCOO]- 349.10815 189.1
[M+CH3COO]- 363.12380 198.9
[M+Na-2H]- 325.08462 175.7
[M]+ 304.10940 167.9
[M]- 304.11050 167.9
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