CID 83854590

Methyl 6-(difluoromethyl)nicotinate

Structural Information

Molecular Formula

C₈H₇F₂NO₂

SMILES

COC(=O)C1=CN=C(C=C1)C(F)F

InChI

InChI=1S/C8H7F2NO2/c1-13-8(12)5-2-3-6(7(9)10)11-4-5/h2-4,7H,1H3

InChIKey

RZSVFYJGODSQHD-UHFFFAOYSA-N

Compound name

methyl 6-(difluoromethyl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 187.04448 Da
Monoisotopic Mass: 1.4
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]+	188.05176	138.5
[M+Na]+	210.03370	148.9
[M+NH4]+	205.07830	144.5
[M+K]+	226.00764	144.2
[M-H]-	186.03720	136.3
[M+Na-2H]-	208.01915	143.3
[M]+	187.04393	139.0
[M]-	187.04503	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe