CID 11074155

157437-25-7

Structural Information

Molecular Formula

C₈H₆F₂O₃

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)CO

InChI

InChI=1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2

InChIKey

VHULACBMFYTQMM-UHFFFAOYSA-N

Compound name

(2,2-difluoro-1,3-benzodioxol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 188.0285 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]+	189.03578	137.3
[M+Na]+	211.01772	147.9
[M+NH4]+	206.06232	145.8
[M+K]+	226.99166	143.2
[M-H]-	187.02122	138.1
[M+Na-2H]-	209.00317	141.3
[M]+	188.02795	139.0
[M]-	188.02905	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe