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]+ 258.00405 147.0
[M+Na]+ 279.98599 160.6
[M-H]- 255.98949 144.6
[M+NH4]+ 275.03059 161.6
[M+K]+ 295.95993 153.6
[M+H-H2O]+ 239.99403 131.4
[M+HCOO]- 301.99497 156.3
[M+CH3COO]- 316.01062 204.3
[M+Na-2H]- 277.97144 153.4
[M]+ 256.99622 140.8
[M]- 256.99732 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.