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 163.9
[M+Na]+ 320.07296 172.3
[M-H]- 296.07646 163.3
[M+NH4]+ 315.11756 174.3
[M+K]+ 336.04690 167.4
[M+H-H2O]+ 280.08100 151.6
[M+HCOO]- 342.08194 181.6
[M+CH3COO]- 356.09759 205.7
[M+Na-2H]- 318.05841 170.6
[M]+ 297.08319 159.3
[M]- 297.08429 159.3
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.