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

87
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 157.5
[M+Na]+ 307.99639 168.8
[M-H]- 283.99989 160.1
[M+NH4]+ 303.04099 172.4
[M+K]+ 323.97033 163.5
[M+H-H2O]+ 268.00443 149.2
[M+HCOO]- 330.00537 169.2
[M+CH3COO]- 344.02102 196.2
[M+Na-2H]- 305.98184 159.8
[M]+ 285.00662 163.0
[M]- 285.00772 163.0
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