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
1
Annotation Hits

0
References

261
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 136.1
[M+Na]+ 219.97323 148.2
[M-H]- 195.97673 140.9
[M+NH4]+ 215.01783 160.0
[M+K]+ 235.94717 136.7
[M+H-H2O]+ 179.98127 136.9
[M+HCOO]- 241.98221 155.3
[M+CH3COO]- 255.99786 151.4
[M+Na-2H]- 217.95868 144.1
[M]+ 196.98346 151.7
[M]- 196.98456 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