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 162.2
[M+Na]+ 320.00762 177.0
[M+NH4]+ 315.05222 169.0
[M+K]+ 335.98156 169.8
[M-H]- 296.01112 165.3
[M+Na-2H]- 317.99307 170.8
[M]+ 297.01785 165.6
[M]- 297.01895 165.6
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.