CID 51104

70551-94-9

Structural Information

Molecular Formula
C11H7Cl4N5O
SMILES
C1=CC(=CC=C1C2=CN=NC(=N2)NNC(=O)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C11H7Cl4N5O/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
GUPNEYQEWXBSLN-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.94046 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.94774 172.8
[M+Na]+ 387.92968 181.0
[M-H]- 363.93318 172.2
[M+NH4]+ 382.97428 181.6
[M+K]+ 403.90362 175.0
[M+H-H2O]+ 347.93772 164.6
[M+HCOO]- 409.93866 172.8
[M+CH3COO]- 423.95431 212.6
[M+Na-2H]- 385.91513 177.5
[M]+ 364.93991 173.5
[M]- 364.94101 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.