CID 572254

2-phenoxy-1-phenylethanol

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C(C=C1)C(COC2=CC=CC=C2)O
InChI
InChI=1S/C14H14O2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKey
GSBICRJXEDSPTE-UHFFFAOYSA-N
Compound name
2-phenoxy-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

162
Patents

214.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 147.2
[M+Na]+ 237.08860 153.0
[M-H]- 213.09210 152.2
[M+NH4]+ 232.13320 164.5
[M+K]+ 253.06254 149.8
[M+H-H2O]+ 197.09664 140.0
[M+HCOO]- 259.09758 169.6
[M+CH3COO]- 273.11323 184.4
[M+Na-2H]- 235.07405 153.6
[M]+ 214.09883 146.6
[M]- 214.09993 146.6
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