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]+ 262.95403 148.2
[M+Na]+ 284.93597 159.9
[M-H]- 260.93947 147.4
[M+NH4]+ 279.98057 164.2
[M+K]+ 300.90991 153.0
[M+H-H2O]+ 244.94401 143.1
[M+HCOO]- 306.94495 152.0
[M+CH3COO]- 320.96060 159.4
[M+Na-2H]- 282.92142 155.9
[M]+ 261.94620 150.0
[M]- 261.94730 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.