CID 6862330

N'-(2-chloro-6-fluorobenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H11ClFN5O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C17H11ClFN5O3/c18-13-5-2-6-14(19)12(13)9-20-23-17(25)16-8-15(21-22-16)10-3-1-4-11(7-10)24(26)27/h1-9H,(H,21,22)(H,23,25)/b20-9+
InChIKey
SHGHDOHZZHIJJC-AWQFTUOYSA-N
Compound name
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06072 185.0
[M+Na]+ 410.04266 191.5
[M-H]- 386.04616 191.3
[M+NH4]+ 405.08726 194.3
[M+K]+ 426.01660 180.8
[M+H-H2O]+ 370.05070 178.6
[M+HCOO]- 432.05164 204.5
[M+CH3COO]- 446.06729 214.0
[M+Na-2H]- 408.02811 189.4
[M]+ 387.05289 183.5
[M]- 387.05399 183.5
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.