CID 51090

Brn 0816351

Structural Information

Molecular Formula
C11H9Cl2N5O
SMILES
CC(=O)NNC1=NC(=CN=N1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2N5O/c1-6(19)16-18-11-15-10(5-14-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,16,19)(H,15,17,18)
InChIKey
NYKYBCORUMFPLS-UHFFFAOYSA-N
Compound name
N'-[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.0184 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02568 161.9
[M+Na]+ 320.00762 171.7
[M-H]- 296.01112 164.3
[M+NH4]+ 315.05222 173.9
[M+K]+ 335.98156 165.5
[M+H-H2O]+ 280.01566 153.1
[M+HCOO]- 342.01660 174.8
[M+CH3COO]- 356.03225 204.1
[M+Na-2H]- 317.99307 168.0
[M]+ 297.01785 164.4
[M]- 297.01895 164.4
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.