CID 43617600

4-bromo-7-fluoro-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C8H7BrFN
SMILES
C1CNC2=C(C=CC(=C21)Br)F
InChI
InChI=1S/C8H7BrFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-2,11H,3-4H2
InChIKey
ZDLYFOXOODEGCB-UHFFFAOYSA-N
Compound name
4-bromo-7-fluoro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.9746 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.981876 139.6
[M+Na]+ 237.963818 152.5
[M-H]- 213.967324 143.3
[M+NH4]+ 233.008423 163.0
[M+K]+ 253.937758 140.5
[M+H-H2O]+ 197.971860 139.5
[M+HCOO]- 259.972801 157.7
[M+CH3COO]- 273.988451 154.5
[M+Na-2H]- 235.949266 146.2
[M]+ 214.97405142 154.4
[M]- 214.97514858 154.4
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