CID 5218628

3-chloro-2,4,6-triphenylphenol

Structural Information

Molecular Formula
C24H17ClO
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2O)C3=CC=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H17ClO/c25-23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)24(26)22(23)19-14-8-3-9-15-19/h1-16,26H
InChIKey
MPMXYZJXGPCSMW-UHFFFAOYSA-N
Compound name
3-chloro-2,4,6-triphenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.0968 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10408 185.5
[M+Na]+ 379.08602 194.4
[M-H]- 355.08952 196.7
[M+NH4]+ 374.13062 197.9
[M+K]+ 395.05996 185.4
[M+H-H2O]+ 339.09406 175.8
[M+HCOO]- 401.09500 202.8
[M+CH3COO]- 415.11065 196.2
[M+Na-2H]- 377.07147 188.8
[M]+ 356.09625 186.1
[M]- 356.09735 186.1
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