CID 21868607

813424-17-8

Structural Information

Molecular Formula

C₈H₆F₂N₂O

SMILES

C1=CC2=C(C=C1N)C(C(=O)N2)(F)F

InChI

InChI=1S/C8H6F2N2O/c9-8(10)5-3-4(11)1-2-6(5)12-7(8)13/h1-3H,11H2,(H,12,13)

InChIKey

HRWISVRCOFVMGR-UHFFFAOYSA-N

Compound name

5-amino-3,3-difluoro-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 184.04482 Da
Monoisotopic Mass: 0.8
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]+	185.05210	132.1
[M+Na]+	207.03404	143.3
[M-H]-	183.03754	131.9
[M+NH4]+	202.07864	154.8
[M+K]+	223.00798	138.8
[M+H-H2O]+	167.04208	125.5
[M+HCOO]-	229.04302	152.2
[M+CH3COO]-	243.05867	179.9
[M+Na-2H]-	205.01949	137.4
[M]+	184.04427	126.8
[M]-	184.04537	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe