CID 3053958

Brn 0829847

Structural Information

Molecular Formula
C12H10F3N5O
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C(F)(F)F
InChI
InChI=1S/C12H10F3N5O/c1-7-2-4-8(5-3-7)9-6-16-19-11(17-9)20-18-10(21)12(13,14)15/h2-6H,1H3,(H,18,21)(H,17,19,20)
InChIKey
GFVVSVGMLNADKY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.08374 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09102 160.0
[M+Na]+ 320.07296 168.7
[M+NH4]+ 315.11756 163.3
[M+K]+ 336.04690 164.8
[M-H]- 296.07646 157.6
[M+Na-2H]- 318.05841 165.9
[M]+ 297.08319 160.0
[M]- 297.08429 160.0
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.