CID 5747252

1h-pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(2,5-dichlorophenyl)hydrazide

Structural Information

Molecular Formula
C11H9Cl2N5O3
SMILES
CC1=C(C(=NN1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H9Cl2N5O3/c1-5-10(18(20)21)9(16-14-5)11(19)17-15-8-4-6(12)2-3-7(8)13/h2-4,15H,1H3,(H,14,16)(H,17,19)
InChIKey
QAUYWDNUSPPEKP-UHFFFAOYSA-N
Compound name
N'-(2,5-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.00824 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01552 166.4
[M+Na]+ 351.99746 178.6
[M+NH4]+ 347.04206 172.2
[M+K]+ 367.97140 177.5
[M-H]- 328.00096 169.3
[M+Na-2H]- 349.98291 171.8
[M]+ 329.00769 169.0
[M]- 329.00879 169.0
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.