CID 70422

4-tritylphenol

Structural Information

Molecular Formula
C25H20O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H
InChIKey
NIPKXTKKYSKEON-UHFFFAOYSA-N
Compound name
4-tritylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1462
Patents

336.15143 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15871 182.1
[M+Na]+ 359.14065 187.3
[M-H]- 335.14415 192.5
[M+NH4]+ 354.18525 193.4
[M+K]+ 375.11459 179.9
[M+H-H2O]+ 319.14869 171.9
[M+HCOO]- 381.14963 202.0
[M+CH3COO]- 395.16528 191.8
[M+Na-2H]- 357.12610 188.4
[M]+ 336.15088 178.6
[M]- 336.15198 178.6
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