CID 51096

Brn 0287090

Structural Information

Molecular Formula
C11H9Cl2N5O
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C(Cl)Cl
InChI
InChI=1S/C11H9Cl2N5O/c12-9(13)10(19)16-18-11-15-8(6-14-17-11)7-4-2-1-3-5-7/h1-6,9H,(H,16,19)(H,15,17,18)
InChIKey
HRBULZPWURVZGD-UHFFFAOYSA-N
Compound name
2,2-dichloro-N'-(5-phenyl-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02568 159.5
[M+Na]+ 320.00762 167.2
[M-H]- 296.01112 161.4
[M+NH4]+ 315.05222 170.9
[M+K]+ 335.98156 161.5
[M+H-H2O]+ 280.01566 150.4
[M+HCOO]- 342.01660 171.6
[M+CH3COO]- 356.03225 202.6
[M+Na-2H]- 317.99307 166.3
[M]+ 297.01785 160.8
[M]- 297.01895 160.8
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.