CID 68992

Triphenylacetic acid

Structural Information

Molecular Formula
C20H16O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
InChIKey
DCYGAPKNVCQNOE-UHFFFAOYSA-N
Compound name
2,2,2-triphenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

6237
Patents

288.11502 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 167.2
[M+Na]+ 311.10424 172.4
[M-H]- 287.10774 175.0
[M+NH4]+ 306.14884 180.8
[M+K]+ 327.07818 167.1
[M+H-H2O]+ 271.11228 158.7
[M+HCOO]- 333.11322 187.3
[M+CH3COO]- 347.12887 198.1
[M+Na-2H]- 309.08969 173.6
[M]+ 288.11447 164.7
[M]- 288.11557 164.7
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

No patent data available for this compound.