CID 84716219

2287271-11-6

Structural Information

Molecular Formula

C₄H₆F₂O₃

SMILES

CC(C(=O)O)OC(F)F

InChI

InChI=1S/C4H6F2O3/c1-2(3(7)8)9-4(5)6/h2,4H,1H3,(H,7,8)

InChIKey

BCEZHAQNRKKRFF-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.0285 Da
Monoisotopic Mass: 1.0
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]+	141.035776	122.9
[M+Na]+	163.017718	130.1
[M-H]-	139.021224	119.5
[M+NH4]+	158.062323	143.5
[M+K]+	178.991658	130.9
[M+H-H2O]+	123.025760	117.0
[M+HCOO]-	185.026701	141.7
[M+CH3COO]-	199.042351	171.6
[M+Na-2H]-	161.003166	125.6
[M]+	140.02795142	120.8
[M]-	140.02904858	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe