CID 94178

1,2-diphenylethanol

Structural Information

Molecular Formula
C14H14O
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H14O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2
InChIKey
GBGXVCNOKWAMIP-UHFFFAOYSA-N
Compound name
1,2-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1323
Patents

198.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.111736 143.8
[M+Na]+ 221.093678 149.7
[M-H]- 197.097184 148.8
[M+NH4]+ 216.138283 161.8
[M+K]+ 237.067618 145.9
[M+H-H2O]+ 181.101720 136.9
[M+HCOO]- 243.102661 165.9
[M+CH3COO]- 257.118311 182.4
[M+Na-2H]- 219.079126 150.2
[M]+ 198.10391142 141.8
[M]- 198.10500858 141.8
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