CID 10352693

2-(trifluoromethyl)quinoxaline

Structural Information

Molecular Formula
C9H5F3N2
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(F)(F)F
InChI
InChI=1S/C9H5F3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H
InChIKey
YIQVNKFWTSLVSA-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

198.04048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04776 137.1
[M+Na]+ 221.02970 147.7
[M-H]- 197.03320 135.4
[M+NH4]+ 216.07430 154.9
[M+K]+ 237.00364 143.5
[M+H-H2O]+ 181.03774 127.4
[M+HCOO]- 243.03868 154.1
[M+CH3COO]- 257.05433 183.2
[M+Na-2H]- 219.01515 146.7
[M]+ 198.03993 133.2
[M]- 198.04103 133.2
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