CID 51091

Brn 0833994

Structural Information

Molecular Formula
C11H7ClF3N5O
SMILES
C1=CC(=CC=C1C2=CN=NC(=N2)NNC(=O)C(F)(F)F)Cl
InChI
InChI=1S/C11H7ClF3N5O/c12-7-3-1-6(2-4-7)8-5-16-19-10(17-8)20-18-9(21)11(13,14)15/h1-5H,(H,18,21)(H,17,19,20)
InChIKey
HRJRYQMICLYFML-UHFFFAOYSA-N
Compound name
N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2,2,2-trifluoroacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.0291 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.03638 163.7
[M+Na]+ 340.01832 173.0
[M-H]- 316.02182 162.9
[M+NH4]+ 335.06292 174.1
[M+K]+ 355.99226 166.8
[M+H-H2O]+ 300.02636 151.9
[M+HCOO]- 362.02730 177.0
[M+CH3COO]- 376.04295 206.3
[M+Na-2H]- 338.00377 170.5
[M]+ 317.02855 160.9
[M]- 317.02965 160.9
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.