CID 513918

3,6-difluorophthalic anhydride

Structural Information

Molecular Formula

C₈H₂F₂O₃

SMILES

C1=CC(=C2C(=C1F)C(=O)OC2=O)F

InChI

InChI=1S/C8H2F2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H

InChIKey

AVLRPSLTCCWJKC-UHFFFAOYSA-N

Compound name

4,7-difluoro-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 655
Patents: 183.99721 Da
Monoisotopic Mass: 1.5
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]+	185.00449	136.3
[M+Na]+	206.98643	147.7
[M+NH4]+	202.03103	143.4
[M+K]+	222.96037	144.3
[M-H]-	182.98993	136.0
[M+Na-2H]-	204.97188	139.1
[M]+	183.99666	137.6
[M]-	183.99776	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe