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

1091
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

literature stripe

Patent stripe

patents stripe