CID 3018911

5-bromo-7-nitroindoline

Structural Information

Molecular Formula

C₈H₇BrN₂O₂

SMILES

C1CNC2=C1C=C(C=C2[N+](=O)[O-])Br

InChI

InChI=1S/C8H7BrN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2

InChIKey

VXKXMHDXFLFIFI-UHFFFAOYSA-N

Compound name

5-bromo-7-nitro-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 674
Patents: 241.96909 Da
Monoisotopic Mass: 2.5
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]+	242.97637	149.0
[M+Na]+	264.95831	151.7
[M+NH4]+	260.00291	153.8
[M+K]+	280.93225	155.4
[M-H]-	240.96181	149.7
[M+Na-2H]-	262.94376	150.1
[M]+	241.96854	148.2
[M]-	241.96964	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe