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]+ 279.027936 155.7
[M+Na]+ 301.009878 163.1
[M-H]- 277.013384 159.9
[M+NH4]+ 296.054483 168.2
[M+K]+ 316.983818 154.8
[M+H-H2O]+ 261.017920 151.8
[M+HCOO]- 323.018861 175.2
[M+CH3COO]- 337.034511 191.8
[M+Na-2H]- 298.995326 164.3
[M]+ 278.02011142 155.5
[M]- 278.02120858 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.