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

3
Patents

269.01227 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01955 156.6
[M+Na]+ 292.00149 167.3
[M-H]- 268.00499 160.6
[M+NH4]+ 287.04609 173.4
[M+K]+ 307.97543 161.3
[M+H-H2O]+ 252.00953 149.3
[M+HCOO]- 314.01047 170.6
[M+CH3COO]- 328.02612 196.2
[M+Na-2H]- 289.98694 159.3
[M]+ 269.01172 159.9
[M]- 269.01282 159.9
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

patents stripe