CID 11644126

141573-95-7

Structural Information

Molecular Formula

C₈H₁₀F₂N₂O₂

SMILES

CCOC(=O)C1=CN(N=C1C(F)F)C

InChI

InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-12(2)11-6(5)7(9)10/h4,7H,3H2,1-2H3

InChIKey

MRQQMVMIANXDKC-UHFFFAOYSA-N

Compound name

ethyl 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 415
Patents: 204.07103 Da
Monoisotopic Mass: 1.1
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]+	205.07831	145.0
[M+Na]+	227.06025	153.5
[M+NH4]+	222.10485	149.8
[M+K]+	243.03419	151.4
[M-H]-	203.06375	141.0
[M+Na-2H]-	225.04570	147.1
[M]+	204.07048	144.5
[M]-	204.07158	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe