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

1
Patents

228.99023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99751 144.5
[M+Na]+ 251.97945 157.2
[M-H]- 227.98295 150.4
[M+NH4]+ 247.02405 168.8
[M+K]+ 267.95339 145.2
[M+H-H2O]+ 211.98749 144.2
[M+HCOO]- 273.98843 165.0
[M+CH3COO]- 288.00408 189.4
[M+Na-2H]- 249.96490 149.6
[M]+ 228.98968 159.4
[M]- 228.99078 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