CID 611792

3-(trifluoromethyl)-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C9H5F3N2O
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C(F)(F)F
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
InChIKey
NOGLKXWLUDJZDQ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

34
Patents

214.0354 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04268 140.2
[M+Na]+ 237.02462 151.5
[M-H]- 213.02812 137.5
[M+NH4]+ 232.06922 156.9
[M+K]+ 252.99856 146.4
[M+H-H2O]+ 197.03266 131.0
[M+HCOO]- 259.03360 156.1
[M+CH3COO]- 273.04925 183.0
[M+Na-2H]- 235.01007 148.6
[M]+ 214.03485 135.6
[M]- 214.03595 135.6
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