CID 5747251

Pyrazole-5-carboxylic acid, 3-methyl-4-nitro-, 2-(p-chlorophenyl)hydrazide

Structural Information

Molecular Formula
C11H10ClN5O3
SMILES
CC1=C(C(=NN1)C(=O)NNC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H10ClN5O3/c1-6-10(17(19)20)9(15-13-6)11(18)16-14-8-4-2-7(12)3-5-8/h2-5,14H,1H3,(H,13,15)(H,16,18)
InChIKey
RFWFHSHNAGUUAS-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05448 160.0
[M+Na]+ 318.03642 171.4
[M+NH4]+ 313.08102 165.7
[M+K]+ 334.01036 171.0
[M-H]- 294.03992 163.1
[M+Na-2H]- 316.02187 165.8
[M]+ 295.04665 162.2
[M]- 295.04775 162.2
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.