CID 516595

121845-48-5

Structural Information

Molecular Formula
C7H3F3N4
SMILES
C1=CN=CC2=C1N=NC(=N2)C(F)(F)F
InChI
InChI=1S/C7H3F3N4/c8-7(9,10)6-12-5-3-11-2-1-4(5)13-14-6/h1-3H
InChIKey
FEIRGJXSTUPNRL-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

200.03098 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03826 138.8
[M+Na]+ 223.02020 150.3
[M-H]- 199.02370 134.5
[M+NH4]+ 218.06480 153.7
[M+K]+ 238.99414 146.0
[M+H-H2O]+ 183.02824 127.7
[M+HCOO]- 245.02918 153.6
[M+CH3COO]- 259.04483 150.3
[M+Na-2H]- 221.00565 149.3
[M]+ 200.03043 135.2
[M]- 200.03153 135.2
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

No patent data available for this compound.