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

6257
Patents

288.11502 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.122296 167.2
[M+Na]+ 311.104238 172.4
[M-H]- 287.107744 175.0
[M+NH4]+ 306.148843 180.8
[M+K]+ 327.078178 167.1
[M+H-H2O]+ 271.112280 158.7
[M+HCOO]- 333.113221 187.3
[M+CH3COO]- 347.128871 198.1
[M+Na-2H]- 309.089686 173.6
[M]+ 288.11447142 164.7
[M]- 288.11556858 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

literature stripe

Patent stripe

patents stripe