CID 91654514

1820579-53-0

Structural Information

Molecular Formula
C9H8F3N
SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C9H8F3N/c10-6-1-4(5-3-8(5)13)2-7(11)9(6)12/h1-2,5,8H,3,13H2/t5-,8+/m0/s1
InChIKey
WLHMNWIKAFDIJR-YLWLKBPMSA-N
Compound name
(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06816 141.5
[M+Na]+ 210.05010 152.0
[M+NH4]+ 205.09470 148.5
[M+K]+ 226.02404 147.9
[M-H]- 186.05360 147.4
[M+Na-2H]- 208.03555 148.6
[M]+ 187.06033 145.3
[M]- 187.06143 145.3
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.