CID 4186462

4-(1,1-diphenylpropyl) phenol

Structural Information

Molecular Formula
C21H20O
SMILES
CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H20O/c1-2-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)19-13-15-20(22)16-14-19/h3-16,22H,2H2,1H3
InChIKey
WCZMVGKSMRHGKA-UHFFFAOYSA-N
Compound name
4-(1,1-diphenylpropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

288.15143 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.158706 169.4
[M+Na]+ 311.140648 175.2
[M-H]- 287.144154 177.3
[M+NH4]+ 306.185253 183.6
[M+K]+ 327.114588 169.1
[M+H-H2O]+ 271.148690 160.9
[M+HCOO]- 333.149631 189.7
[M+CH3COO]- 347.165281 200.1
[M+Na-2H]- 309.126096 175.6
[M]+ 288.15088142 167.5
[M]- 288.15197858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe