CID 51095

70551-87-0

Structural Information

Molecular Formula
C11H10ClN5O
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)CCl
InChI
InChI=1S/C11H10ClN5O/c12-6-10(18)15-17-11-14-9(7-13-16-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,18)(H,14,16,17)
InChIKey
MZTZDAHYIBBUFT-UHFFFAOYSA-N
Compound name
2-chloro-N'-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.05737 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06465 155.2
[M+Na]+ 286.04659 163.0
[M-H]- 262.05009 157.8
[M+NH4]+ 281.09119 167.6
[M+K]+ 302.02053 157.8
[M+H-H2O]+ 246.05463 145.5
[M+HCOO]- 308.05557 173.4
[M+CH3COO]- 322.07122 197.4
[M+Na-2H]- 284.03204 163.8
[M]+ 263.05682 155.8
[M]- 263.05792 155.8
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.