CID 4070833

6880-25-7

Structural Information

Molecular Formula
C21H20O
SMILES
C1=CC=C(C=C1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H20O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H,16-17H2
InChIKey
NRTKLWOWRLGLDO-UHFFFAOYSA-N
Compound name
1,1,3-triphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.15143 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.158706 169.4
[M+Na]+ 311.140648 174.3
[M-H]- 287.144154 176.9
[M+NH4]+ 306.185253 183.3
[M+K]+ 327.114588 168.1
[M+H-H2O]+ 271.148690 160.7
[M+HCOO]- 333.149631 189.7
[M+CH3COO]- 347.165281 179.9
[M+Na-2H]- 309.126096 176.3
[M]+ 288.15088142 167.1
[M]- 288.15197858 167.1
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