CID 89437023

1807939-83-8

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1[C@H]([C@@H]1N)C2=C(C(=CC=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-7-3-1-2-5(9(7)11)6-4-8(6)12/h1-3,6,8H,4,12H2/t6-,8+/m0/s1
InChIKey
MCABSRDMAUTFDE-POYBYMJQSA-N
Compound name
(1R,2S)-2-(2,3-difluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 125.4
[M+Na]+ 192.05953 136.6
[M-H]- 168.06303 130.9
[M+NH4]+ 187.10413 141.2
[M+K]+ 208.03347 132.5
[M+H-H2O]+ 152.06757 117.7
[M+HCOO]- 214.06851 148.9
[M+CH3COO]- 228.08416 186.0
[M+Na-2H]- 190.04498 130.7
[M]+ 169.06976 123.8
[M]- 169.07086 123.8
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

patents stripe