CID 24766018

819046-96-3

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1[C@H]([C@@H]1N)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(8)14/h1-4,8-9H,5,14H2/t8-,9+/m0/s1
InChIKey
WDWZYVCJRRSQDE-DTWKUNHWSA-N
Compound name
(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

201.07654 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08382 131.5
[M+Na]+ 224.06576 141.8
[M-H]- 200.06926 135.3
[M+NH4]+ 219.11036 145.8
[M+K]+ 240.03970 137.4
[M+H-H2O]+ 184.07380 122.9
[M+HCOO]- 246.07474 152.1
[M+CH3COO]- 260.09039 190.2
[M+Na-2H]- 222.05121 137.0
[M]+ 201.07599 128.1
[M]- 201.07709 128.1
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