CID 54476052

705250-95-9

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1[C@H]([C@@H]1N)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-6-1-5(2-7(11)3-6)8-4-9(8)12/h1-3,8-9H,4,12H2/t8-,9+/m0/s1
InChIKey
XLQLRKKOZIANSJ-DTWKUNHWSA-N
Compound name
trans-(1R,2S)-2-(3,5-difluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

169.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 125.4
[M+Na]+ 192.059528 136.6
[M-H]- 168.063034 130.9
[M+NH4]+ 187.104133 141.2
[M+K]+ 208.033468 132.5
[M+H-H2O]+ 152.067570 117.7
[M+HCOO]- 214.068511 148.9
[M+CH3COO]- 228.084161 186.0
[M+Na-2H]- 190.044976 130.7
[M]+ 169.06976142 123.8
[M]- 169.07085858 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