CID 39237823

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

Structural Information

Molecular Formula
C9H9ClFN
SMILES
C1[C@H]([C@@H]1N)C2=C(C=CC=C2Cl)F
InChI
InChI=1S/C9H9ClFN/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
OVXAANIGKVZHMA-SVGQVSJJSA-N
Compound name
trans-(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.048036 129.0
[M+Na]+ 208.029978 140.7
[M-H]- 184.033484 135.3
[M+NH4]+ 203.074583 145.0
[M+K]+ 224.003918 135.2
[M+H-H2O]+ 168.038020 122.9
[M+HCOO]- 230.038961 149.0
[M+CH3COO]- 244.054611 187.0
[M+Na-2H]- 206.015426 134.3
[M]+ 185.04021142 130.4
[M]- 185.04130858 130.4
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

No patent data available for this compound.