CID 138006642

Rac-(1r,2s)-2-(2-bromo-6-fluorophenyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9BrFN
SMILES
C1[C@H]([C@@H]1N)C2=C(C=CC=C2Br)F
InChI
InChI=1S/C9H9BrFN/c10-6-2-1-3-7(11)9(6)5-4-8(5)12/h1-3,5,8H,4,12H2/t5-,8-/m1/s1
InChIKey
HIQCLHHBGVFTLI-SVGQVSJJSA-N
Compound name
trans-(1R,2S)-2-(2-bromo-6-fluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.2
[M+Na]+ 251.979448 152.2
[M-H]- 227.982954 147.1
[M+NH4]+ 247.024053 155.3
[M+K]+ 267.953388 139.6
[M+H-H2O]+ 211.987490 136.7
[M+HCOO]- 273.988431 160.1
[M+CH3COO]- 288.004081 193.0
[M+Na-2H]- 249.964896 144.5
[M]+ 228.98968142 155.3
[M]- 228.99077858 155.3
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

No patent data available for this compound.