CID 464041

3-amino-7-(trifluoromethyl)quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C10H5F3N4
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)N)C#N
InChI
InChI=1S/C10H5F3N4/c11-10(12,13)5-1-2-6-7(3-5)16-8(4-14)9(15)17-6/h1-3H,(H2,15,17)
InChIKey
RQQLMMLPIRSQMA-UHFFFAOYSA-N
Compound name
3-amino-7-(trifluoromethyl)quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.04663 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05391 148.1
[M+Na]+ 261.03585 159.9
[M-H]- 237.03935 145.2
[M+NH4]+ 256.08045 161.8
[M+K]+ 277.00979 154.5
[M+H-H2O]+ 221.04389 131.8
[M+HCOO]- 283.04483 161.7
[M+CH3COO]- 297.06048 204.8
[M+Na-2H]- 259.02130 154.0
[M]+ 238.04608 138.3
[M]- 238.04718 138.3
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.