CID 92135023

5-bromo-4-fluoro-2,3-dihydro-1h-inden-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9BrFN
SMILES
C1CC2=C(C1N)C=CC(=C2F)Br
InChI
InChI=1S/C9H9BrFN/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3,8H,2,4,12H2
InChIKey
UEHOBYXDJPIHPP-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.99023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.997506 144.5
[M+Na]+ 251.979448 157.2
[M-H]- 227.982954 150.4
[M+NH4]+ 247.024053 168.8
[M+K]+ 267.953388 145.2
[M+H-H2O]+ 211.987490 144.2
[M+HCOO]- 273.988431 165.0
[M+CH3COO]- 288.004081 189.4
[M+Na-2H]- 249.964896 149.6
[M]+ 228.98968142 159.4
[M]- 228.99077858 159.4
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