CID 51092

Brn 0833993

Structural Information

Molecular Formula
C11H7ClF3N5O
SMILES
C1=CC(=CC(=C1)Cl)C2=CN=NC(=N2)NNC(=O)C(F)(F)F
InChI
InChI=1S/C11H7ClF3N5O/c12-7-3-1-2-6(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
IEZACQRJOWMNAD-UHFFFAOYSA-N
Compound name
N'-[5-(3-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 158.8
[M+Na]+ 340.01832 168.4
[M+NH4]+ 335.06292 162.5
[M+K]+ 355.99226 164.1
[M-H]- 316.02182 156.6
[M+Na-2H]- 338.00377 165.2
[M]+ 317.02855 159.3
[M]- 317.02965 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.