CID 464042

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

Structural Information

Molecular Formula
C10H3ClF3N3
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)Cl)C#N
InChI
InChI=1S/C10H3ClF3N3/c11-9-8(4-15)16-7-3-5(10(12,13)14)1-2-6(7)17-9/h1-3H
InChIKey
YJGMUKQDCRIHJU-UHFFFAOYSA-N
Compound name
3-chloro-7-(trifluoromethyl)quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.99677 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.004046 147.0
[M+Na]+ 279.985988 160.6
[M-H]- 255.989494 144.6
[M+NH4]+ 275.030593 161.6
[M+K]+ 295.959928 153.6
[M+H-H2O]+ 239.994030 131.4
[M+HCOO]- 301.994971 156.3
[M+CH3COO]- 316.010621 204.3
[M+Na-2H]- 277.971436 153.4
[M]+ 256.99622142 140.8
[M]- 256.99731858 140.8
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.