CID 97048166

Rac-(2r,3s)-2-(4-chloro-3-fluorophenyl)oxolan-3-amine

Structural Information

Molecular Formula
C10H11ClFNO
SMILES
C1CO[C@@H]([C@H]1N)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C10H11ClFNO/c11-7-2-1-6(5-8(7)12)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2/t9-,10+/m0/s1
InChIKey
ILGZVSPVFCLHES-VHSXEESVSA-N
Compound name
(2R,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05132 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05860 144.8
[M+Na]+ 238.04054 153.9
[M-H]- 214.04404 150.5
[M+NH4]+ 233.08514 164.5
[M+K]+ 254.01448 150.0
[M+H-H2O]+ 198.04858 138.7
[M+HCOO]- 260.04952 162.4
[M+CH3COO]- 274.06517 186.6
[M+Na-2H]- 236.02599 147.4
[M]+ 215.05077 142.8
[M]- 215.05187 142.8
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.