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 161.2
[M+Na]+ 320.00762 175.0
[M+NH4]+ 315.05222 168.0
[M+K]+ 335.98156 168.3
[M-H]- 296.01112 164.0
[M+Na-2H]- 317.99307 170.1
[M]+ 297.01785 164.3
[M]- 297.01895 164.3
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.