CID 3384259

1,1,2-triphenyl-propan-1-ol

Structural Information

Molecular Formula
C21H20O
SMILES
CC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H20O/c1-17(18-11-5-2-6-12-18)21(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3
InChIKey
SFRDIOSZMHLSFP-UHFFFAOYSA-N
Compound name
1,1,2-triphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

288.15143 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.158706 169.2
[M+Na]+ 311.140648 173.7
[M-H]- 287.144154 176.7
[M+NH4]+ 306.185253 182.9
[M+K]+ 327.114588 168.1
[M+H-H2O]+ 271.148690 160.6
[M+HCOO]- 333.149631 188.5
[M+CH3COO]- 347.165281 199.8
[M+Na-2H]- 309.126096 174.9
[M]+ 288.15088142 166.3
[M]- 288.15197858 166.3
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