CID 175789

98533-16-5

Structural Information

Molecular Formula

C₁₁H₉Cl₂N₃O

SMILES

CNC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)Cl

InChI

InChI=1S/C11H9Cl2N3O/c1-14-11(17)9-6-15-16(10(9)13)8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,17)

InChIKey

APDBCSPADLACCI-UHFFFAOYSA-N

Compound name

5-chloro-1-(3-chlorophenyl)-N-methylpyrazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 269.01227 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.019546	156.6
[M+Na]+	292.001488	167.3
[M-H]-	268.004994	160.6
[M+NH4]+	287.046093	173.4
[M+K]+	307.975428	161.3
[M+H-H2O]+	252.009530	149.3
[M+HCOO]-	314.010471	170.6
[M+CH3COO]-	328.026121	196.2
[M+Na-2H]-	289.986936	159.3
[M]+	269.01172142	159.9
[M]-	269.01281858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe