CID 126421883

2168071-52-9

Structural Information

Molecular Formula

C₈H₇F₂NO₃

SMILES

C1=CC(=NC(=C1)OC(F)F)CC(=O)O

InChI

InChI=1S/C8H7F2NO3/c9-8(10)14-6-3-1-2-5(11-6)4-7(12)13/h1-3,8H,4H2,(H,12,13)

InChIKey

BZYSVCRTEQWOIG-UHFFFAOYSA-N

Compound name

2-[6-(difluoromethoxy)pyridin-2-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.0394 Da
Monoisotopic Mass: 1.6
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]+	204.04668	137.3
[M+Na]+	226.02862	145.3
[M-H]-	202.03212	135.8
[M+NH4]+	221.07322	154.1
[M+K]+	242.00256	143.7
[M+H-H2O]+	186.03666	129.1
[M+HCOO]-	248.03760	156.2
[M+CH3COO]-	262.05325	181.8
[M+Na-2H]-	224.01407	141.3
[M]+	203.03885	135.9
[M]-	203.03995	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe