CID 79021007

(r)-1-(5-bromo-2-fluorophenyl)ethanamine hydrochloride

Structural Information

Molecular Formula
C8H9BrFN
SMILES
C[C@H](C1=C(C=CC(=C1)Br)F)N
InChI
InChI=1S/C8H9BrFN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
DNTVTHQJTIIMMB-RXMQYKEDSA-N
Compound name
(1R)-1-(5-bromo-2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.99023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 139.2
[M+Na]+ 239.979448 150.7
[M-H]- 215.982954 144.1
[M+NH4]+ 235.024053 161.0
[M+K]+ 255.953388 139.3
[M+H-H2O]+ 199.987490 138.3
[M+HCOO]- 261.988431 159.7
[M+CH3COO]- 276.004081 188.4
[M+Na-2H]- 237.964896 144.6
[M]+ 216.98968142 154.5
[M]- 216.99077858 154.5
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