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 3-(chloromethyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

285.00717 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.014446 157.5
[M+Na]+ 307.996388 168.8
[M-H]- 283.999894 160.1
[M+NH4]+ 303.040993 172.4
[M+K]+ 323.970328 163.5
[M+H-H2O]+ 268.004430 149.2
[M+HCOO]- 330.005371 169.2
[M+CH3COO]- 344.021021 196.2
[M+Na-2H]- 305.981836 159.8
[M]+ 285.00662142 163.0
[M]- 285.00771858 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