CID 43428295

1187339-06-5

Structural Information

Molecular Formula

C₁₁H₉ClN₂O₂

SMILES

COC(=O)C1=CC(=NN1)C2=CC=CC=C2Cl

InChI

InChI=1S/C11H9ClN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14)

InChIKey

WYXZSFZLTLCERD-UHFFFAOYSA-N

Compound name

methyl 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 236.03525 Da
Monoisotopic Mass: 2.7
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]+	237.04253	149.0
[M+Na]+	259.02447	162.9
[M+NH4]+	254.06907	156.6
[M+K]+	274.99841	158.3
[M-H]-	235.02797	150.7
[M+Na-2H]-	257.00992	156.4
[M]+	236.03470	151.6
[M]-	236.03580	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe