CID 72218231

1393532-37-0

Structural Information

Molecular Formula

C₈H₄BrF₂NO

SMILES

C1=CC2=C(C=C1Br)NC(=O)C2(F)F

InChI

InChI=1S/C8H4BrF2NO/c9-4-1-2-5-6(3-4)12-7(13)8(5,10)11/h1-3H,(H,12,13)

InChIKey

KKRAAULUIAIYBS-UHFFFAOYSA-N

Compound name

6-bromo-3,3-difluoro-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 246.94443 Da
Monoisotopic Mass: 2.2
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]+	247.95171	142.3
[M+Na]+	269.93365	157.1
[M-H]-	245.93715	145.5
[M+NH4]+	264.97825	166.5
[M+K]+	285.90759	144.7
[M+H-H2O]+	229.94169	142.2
[M+HCOO]-	291.94263	159.8
[M+CH3COO]-	305.95828	185.9
[M+Na-2H]-	267.91910	148.9
[M]+	246.94388	157.6
[M]-	246.94498	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe