CID 91654512

Rac-(1r,2s)-2-(4-chloro-3-fluorophenyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9ClFN
SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C9H9ClFN/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1
InChIKey
LVNZCEIVEMZSLV-IMTBSYHQSA-N
Compound name
(1R,2S)-2-(4-chloro-3-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]+ 186.04804 129.0
[M+Na]+ 208.02998 140.7
[M-H]- 184.03348 135.3
[M+NH4]+ 203.07458 145.0
[M+K]+ 224.00392 135.2
[M+H-H2O]+ 168.03802 122.9
[M+HCOO]- 230.03896 149.0
[M+CH3COO]- 244.05461 187.0
[M+Na-2H]- 206.01543 134.3
[M]+ 185.04021 130.4
[M]- 185.04131 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.