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

12
Patents

288.15143 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15871 169.4
[M+Na]+ 311.14065 175.2
[M-H]- 287.14415 177.3
[M+NH4]+ 306.18525 183.6
[M+K]+ 327.11459 169.1
[M+H-H2O]+ 271.14869 160.9
[M+HCOO]- 333.14963 189.7
[M+CH3COO]- 347.16528 200.1
[M+Na-2H]- 309.12610 175.6
[M]+ 288.15088 167.5
[M]- 288.15198 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