CID 3053959

Brn 0840746

Structural Information

Molecular Formula
C11H6Cl2F3N5O
SMILES
C1=CC(=C(C=C1C2=CN=NC(=N2)NNC(=O)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C11H6Cl2F3N5O/c12-6-2-1-5(3-7(6)13)8-4-17-20-10(18-8)21-19-9(22)11(14,15)16/h1-4H,(H,19,22)(H,18,20,21)
InChIKey
UIKQTRLNCCMSJJ-UHFFFAOYSA-N
Compound name
N'-[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2,2-trifluoroacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.99014 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99742 168.2
[M+Na]+ 373.97936 178.6
[M-H]- 349.98286 167.1
[M+NH4]+ 369.02396 178.1
[M+K]+ 389.95330 171.5
[M+H-H2O]+ 333.98740 157.1
[M+HCOO]- 395.98834 176.5
[M+CH3COO]- 410.00399 211.7
[M+Na-2H]- 371.96481 173.6
[M]+ 350.98959 167.2
[M]- 350.99069 167.2
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.