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

5958
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 169.1
[M+Na]+ 311.10424 184.7
[M+NH4]+ 306.14884 177.9
[M+K]+ 327.07818 176.3
[M-H]- 287.10774 175.4
[M+Na-2H]- 309.08969 181.4
[M]+ 288.11447 173.4
[M]- 288.11557 173.4
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