CID 19701932

7-amino-4-bromoisoindolin-1-one

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

C1C2=C(C=CC(=C2C(=O)N1)N)Br

InChI

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

InChIKey

CZZMFBYDHNKOMT-UHFFFAOYSA-N

Compound name

7-amino-4-bromo-2,3-dihydroisoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 225.97418 Da
Monoisotopic Mass: 1.3
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

patents stripe