CID 3411566

5-bromoindoline

Structural Information

Molecular Formula
C8H8BrN
SMILES
C1CNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
InChIKey
QEDCHCLHHGGYBT-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1496
Patents

196.98401 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe