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 161.2
[M+Na]+ 318.03642 167.8
[M-H]- 294.03992 164.6
[M+NH4]+ 313.08102 174.1
[M+K]+ 334.01036 159.0
[M+H-H2O]+ 278.04446 157.8
[M+HCOO]- 340.04540 181.0
[M+CH3COO]- 354.06105 195.2
[M+Na-2H]- 316.02187 167.1
[M]+ 295.04665 159.4
[M]- 295.04775 159.4
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.