CID 91654514

Rac-(1r,2s)-2-(3,4,5-trifluorophenyl)cyclopropan-1-amine hydrochloride

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 126.7
[M+Na]+ 210.05010 138.7
[M-H]- 186.05360 131.1
[M+NH4]+ 205.09470 141.9
[M+K]+ 226.02404 134.0
[M+H-H2O]+ 170.05814 118.2
[M+HCOO]- 232.05908 149.0
[M+CH3COO]- 246.07473 189.8
[M+Na-2H]- 208.03555 130.8
[M]+ 187.06033 124.4
[M]- 187.06143 124.4
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.