CID 93218

(3-phenoxyphenyl)glycolonitrile

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)O
InChI
InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H
InChIKey
GXUQMKBQDGPMKZ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

1267
Patents

225.07898 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 154.0
[M+Na]+ 248.06820 163.4
[M-H]- 224.07170 158.2
[M+NH4]+ 243.11280 169.3
[M+K]+ 264.04214 158.0
[M+H-H2O]+ 208.07624 140.6
[M+HCOO]- 270.07718 172.7
[M+CH3COO]- 284.09283 198.3
[M+Na-2H]- 246.05365 158.8
[M]+ 225.07843 148.5
[M]- 225.07953 148.5
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.