CID 10989408

76578-79-5

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC(=CC=C1O)OC2=CN=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C14H9ClN2O2/c15-9-1-6-12-13(7-9)16-8-14(17-12)19-11-4-2-10(18)3-5-11/h1-8,18H
InChIKey
UVYFSLAJRJHGJB-UHFFFAOYSA-N
Compound name
4-(6-chloroquinoxalin-2-yl)oxyphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

125
Patents

272.03525 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.042526 156.9
[M+Na]+ 295.024468 167.8
[M-H]- 271.027974 160.8
[M+NH4]+ 290.069073 171.7
[M+K]+ 310.998408 161.5
[M+H-H2O]+ 255.032510 148.4
[M+HCOO]- 317.033451 172.5
[M+CH3COO]- 331.049101 168.9
[M+Na-2H]- 293.009916 165.1
[M]+ 272.03470142 159.9
[M]- 272.03579858 159.9
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