CID 45090512

1643378-58-8

Structural Information

Molecular Formula
C9H10FN
SMILES
C1[C@H]([C@@H]1N)C2=CC(=CC=C2)F
InChI
InChI=1S/C9H10FN/c10-7-3-1-2-6(4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
InChIKey
OXGGARNLAOPVNV-DTWKUNHWSA-N
Compound name
(1R,2S)-2-(3-fluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

151.07973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08701 124.2
[M+Na]+ 174.06895 134.6
[M-H]- 150.07245 130.7
[M+NH4]+ 169.11355 140.5
[M+K]+ 190.04289 131.0
[M+H-H2O]+ 134.07699 117.3
[M+HCOO]- 196.07793 148.8
[M+CH3COO]- 210.09358 182.3
[M+Na-2H]- 172.05440 130.7
[M]+ 151.07918 123.4
[M]- 151.08028 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe