CID 2736970

119895-68-0

Structural Information

Molecular Formula

C₈H₄F₂O₃

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)C=O

InChI

InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H

InChIKey

NIBFJPXGNVPNHK-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,3-benzodioxole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1973
Patents: 186.01285 Da
Monoisotopic Mass: 2.0
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]+	187.02013	136.8
[M+Na]+	209.00207	148.0
[M+NH4]+	204.04667	145.3
[M+K]+	224.97601	142.8
[M-H]-	185.00557	137.8
[M+Na-2H]-	206.98752	141.2
[M]+	186.01230	138.6
[M]-	186.01340	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe