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

114
Patents

288.15143 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15871 169.2
[M+Na]+ 311.14065 173.7
[M-H]- 287.14415 176.7
[M+NH4]+ 306.18525 182.9
[M+K]+ 327.11459 168.1
[M+H-H2O]+ 271.14869 160.6
[M+HCOO]- 333.14963 188.5
[M+CH3COO]- 347.16528 199.8
[M+Na-2H]- 309.12610 174.9
[M]+ 288.15088 166.3
[M]- 288.15198 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