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

342
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 164.9
[M+Na]+ 297.12499 170.2
[M-H]- 273.12849 172.5
[M+NH4]+ 292.16959 179.3
[M+K]+ 313.09893 164.2
[M+H-H2O]+ 257.13303 156.4
[M+HCOO]- 319.13397 185.5
[M+CH3COO]- 333.14962 175.8
[M+Na-2H]- 295.11044 172.3
[M]+ 274.13522 162.3
[M]- 274.13632 162.3
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

No patent data available for this compound.