CID 14795870

127168-81-4

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
2
Annotation Hits

0
References

265
Patents

196.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.991286 136.1
[M+Na]+ 219.973228 148.2
[M-H]- 195.976734 140.9
[M+NH4]+ 215.017833 160.0
[M+K]+ 235.947168 136.7
[M+H-H2O]+ 179.981270 136.9
[M+HCOO]- 241.982211 155.3
[M+CH3COO]- 255.997861 151.4
[M+Na-2H]- 217.958676 144.1
[M]+ 196.98346142 151.7
[M]- 196.98455858 151.7
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