CID 245013

1,1,2-triphenylethanol

Structural Information

Molecular Formula
C20H18O
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H18O/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15,21H,16H2
InChIKey
QMPKJVBRCQVFLL-UHFFFAOYSA-N
Compound name
1,1,2-triphenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

289
Patents

274.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 167.5
[M+Na]+ 297.12499 183.9
[M+NH4]+ 292.16959 177.3
[M+K]+ 313.09893 174.2
[M-H]- 273.12849 174.7
[M+Na-2H]- 295.11044 180.7
[M]+ 274.13522 172.3
[M]- 274.13632 172.3
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