CID 99447

2-quinoxalinol, 3-(trichloromethyl)-

Structural Information

Molecular Formula
C9H5Cl3N2O
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H5Cl3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
InChIKey
HYRAYGYUGOFLQR-UHFFFAOYSA-N
Compound name
3-(trichloromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.94675 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.954026 148.2
[M+Na]+ 284.935968 159.9
[M-H]- 260.939474 147.4
[M+NH4]+ 279.980573 164.2
[M+K]+ 300.909908 153.0
[M+H-H2O]+ 244.944010 143.1
[M+HCOO]- 306.944951 152.0
[M+CH3COO]- 320.960601 159.4
[M+Na-2H]- 282.921416 155.9
[M]+ 261.94620142 150.0
[M]- 261.94729858 150.0
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.