CID 49850068

1247712-63-5

Structural Information

Molecular Formula
C11H9Cl2N3O2
SMILES
COC(=O)C1=CC(=NN1C2=C(C=CC=N2)Cl)CCl
InChI
InChI=1S/C11H9Cl2N3O2/c1-18-11(17)9-5-7(6-12)15-16(9)10-8(13)3-2-4-14-10/h2-5H,6H2,1H3
InChIKey
RJTNIGNOVDQOAX-UHFFFAOYSA-N
Compound name
methyl 5-(chloromethyl)-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

285.00717 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01445 158.0
[M+Na]+ 307.99639 173.0
[M+NH4]+ 303.04099 165.1
[M+K]+ 323.97033 167.8
[M-H]- 283.99989 159.3
[M+Na-2H]- 305.98184 165.1
[M]+ 285.00662 161.0
[M]- 285.00772 161.0
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

patents stripe