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
(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]+ 229.99751 138.2
[M+Na]+ 251.97945 152.2
[M-H]- 227.98295 147.1
[M+NH4]+ 247.02405 155.3
[M+K]+ 267.95339 139.6
[M+H-H2O]+ 211.98749 136.7
[M+HCOO]- 273.98843 160.1
[M+CH3COO]- 288.00408 193.0
[M+Na-2H]- 249.96490 144.5
[M]+ 228.98968 155.3
[M]- 228.99078 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.