CID 21715779

159276-63-8

Structural Information

Molecular Formula

C₉H₄F₄O₃

SMILES

C1=CC2=C(C=C1C=O)OC(C(O2)(F)F)(F)F

InChI

InChI=1S/C9H4F4O3/c10-8(11)9(12,13)16-7-3-5(4-14)1-2-6(7)15-8/h1-4H

InChIKey

WQTQOBVIERTDBA-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 236.00966 Da
Monoisotopic Mass: 2.5
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]+	237.01694	153.6
[M+Na]+	258.99888	162.9
[M+NH4]+	254.04348	160.7
[M+K]+	274.97282	154.9
[M-H]-	235.00238	151.9
[M+Na-2H]-	256.98433	157.4
[M]+	236.00911	154.4
[M]-	236.01021	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe