CID 13485870

2-(1-hydroxy-2-phenylethyl)phenol

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2O)O
InChI
InChI=1S/C14H14O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,14-16H,10H2
InChIKey
OQOCSCWMMZVDHS-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-2-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

214.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 147.2
[M+Na]+ 237.088598 153.6
[M-H]- 213.092104 151.3
[M+NH4]+ 232.133203 164.2
[M+K]+ 253.062538 149.5
[M+H-H2O]+ 197.096640 140.6
[M+HCOO]- 259.097581 168.1
[M+CH3COO]- 273.113231 183.0
[M+Na-2H]- 235.074046 152.5
[M]+ 214.09883142 145.2
[M]- 214.09992858 145.2
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