CID 215999

Brn 0961458

Structural Information

Molecular Formula
C11H7ClN4O3
SMILES
C1=CC(=CC=C1C(=O)NC2=NN=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H7ClN4O3/c12-9-5-6-10(15-14-9)13-11(17)7-1-3-8(4-2-7)16(18)19/h1-6H,(H,13,15,17)
InChIKey
SJFKAZGPHJAMRP-UHFFFAOYSA-N
Compound name
N-(6-chloropyridazin-3-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.02066 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02794 155.7
[M+Na]+ 301.00988 163.1
[M-H]- 277.01338 159.9
[M+NH4]+ 296.05448 168.2
[M+K]+ 316.98382 154.8
[M+H-H2O]+ 261.01792 151.8
[M+HCOO]- 323.01886 175.2
[M+CH3COO]- 337.03451 191.8
[M+Na-2H]- 298.99533 164.3
[M]+ 278.02011 155.5
[M]- 278.02121 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.