CID 10679600

641631-96-1

Structural Information

Molecular Formula

C₉H₈F₂O₃

SMILES

C1=CC2=C(C=C1CCO)OC(O2)(F)F

InChI

InChI=1S/C9H8F2O3/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5,12H,3-4H2

InChIKey

POAQIUVPNLFVQX-UHFFFAOYSA-N

Compound name

2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 202.04414 Da
Monoisotopic Mass: 2.1
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]+	203.05142	135.7
[M+Na]+	225.03336	146.1
[M-H]-	201.03686	138.3
[M+NH4]+	220.07796	156.8
[M+K]+	241.00730	145.5
[M+H-H2O]+	185.04140	130.1
[M+HCOO]-	247.04234	154.7
[M+CH3COO]-	261.05799	179.9
[M+Na-2H]-	223.01881	143.7
[M]+	202.04359	136.4
[M]-	202.04469	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe