CID 5274974

5-ethyl-2-phenoxyphenol

Structural Information

Molecular Formula
C14H14O2
SMILES
CCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
InChIKey
XZOPHRPAUNJURP-UHFFFAOYSA-N
Compound name
5-ethyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

283
Patents

214.09938 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 146.2
[M+Na]+ 237.088598 154.3
[M-H]- 213.092104 152.0
[M+NH4]+ 232.133203 164.4
[M+K]+ 253.062538 150.7
[M+H-H2O]+ 197.096640 139.4
[M+HCOO]- 259.097581 169.6
[M+CH3COO]- 273.113231 185.8
[M+Na-2H]- 235.074046 152.5
[M]+ 214.09883142 147.1
[M]- 214.09992858 147.1
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