CID 66494

Phenolphthalin

Structural Information

Molecular Formula
C20H16O4
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O
InChI
InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)
InChIKey
FFFPYJTVNSSLBQ-UHFFFAOYSA-N
Compound name
2-[bis(4-hydroxyphenyl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

515
References

3259
Patents

320.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.6
[M+Na]+ 343.09408 179.4
[M-H]- 319.09758 179.6
[M+NH4]+ 338.13868 184.9
[M+K]+ 359.06802 174.3
[M+H-H2O]+ 303.10212 165.2
[M+HCOO]- 365.10306 191.5
[M+CH3COO]- 379.11871 201.8
[M+Na-2H]- 341.07953 175.1
[M]+ 320.10431 171.4
[M]- 320.10541 171.4
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