CID 18072781

2680531-04-6

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

C1=CC2=C(C=C1Br)NC(=O)C2N

InChI

InChI=1S/C8H7BrN2O/c9-4-1-2-5-6(3-4)11-8(12)7(5)10/h1-3,7H,10H2,(H,11,12)

InChIKey

LITSJFHQYPBQDX-UHFFFAOYSA-N

Compound name

3-amino-6-bromo-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.97418 Da
Monoisotopic Mass: 0.7
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]+	226.98146	144.1
[M+Na]+	248.96340	146.0
[M+NH4]+	244.00800	148.7
[M+K]+	264.93734	147.8
[M-H]-	224.96690	144.0
[M+Na-2H]-	246.94885	145.1
[M]+	225.97363	142.9
[M]-	225.97473	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.