CID 14795870

4-bromoisoindoline

Structural Information

Molecular Formula
C8H8BrN
SMILES
C1C2=C(CN1)C(=CC=C2)Br
InChI
InChI=1S/C8H8BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKey
AMXFGLZWKBYNGE-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

196.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99129 137.7
[M+Na]+ 219.97323 140.8
[M+NH4]+ 215.01783 143.7
[M+K]+ 235.94717 141.3
[M-H]- 195.97673 138.1
[M+Na-2H]- 217.95868 140.4
[M]+ 196.98346 137.0
[M]- 196.98456 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe