CID 46930344

865106-46-3

Structural Information

Molecular Formula

C₈H₅F₂NO₂

SMILES

C1C(=O)NC2=CC(=C(C=C2O1)F)F

InChI

InChI=1S/C8H5F2NO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12)

InChIKey

WFAHKQSSFLPKGA-UHFFFAOYSA-N

Compound name

6,7-difluoro-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 185.02884 Da
Monoisotopic Mass: 1.1
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]+	186.03612	137.4
[M+Na]+	208.01806	149.1
[M+NH4]+	203.06266	144.3
[M+K]+	223.99200	143.6
[M-H]-	184.02156	137.1
[M+Na-2H]-	206.00351	140.9
[M]+	185.02829	138.7
[M]-	185.02939	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe