CID 139597163

Dtxsid101027460

Structural Information

Molecular Formula
C14H9ClN2O3
SMILES
C1=CC(=CC=C1O)OC2=NC3=C(C=C(C=C3)Cl)NC2=O
InChI
InChI=1S/C14H9ClN2O3/c15-8-1-6-11-12(7-8)16-13(19)14(17-11)20-10-4-2-9(18)3-5-10/h1-7,18H,(H,16,19)
InChIKey
SUDISTHTCZHOSE-UHFFFAOYSA-N
Compound name
7-chloro-3-(4-hydroxyphenoxy)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

288.03018 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.037456 159.7
[M+Na]+ 311.019398 171.2
[M-H]- 287.022904 162.8
[M+NH4]+ 306.064003 173.3
[M+K]+ 326.993338 164.3
[M+H-H2O]+ 271.027440 151.7
[M+HCOO]- 333.028381 174.2
[M+CH3COO]- 347.044031 171.3
[M+Na-2H]- 309.004846 166.8
[M]+ 288.02963142 162.2
[M]- 288.03072858 162.2
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

No patent data available for this compound.