CID 118957859

1889287-68-6

Structural Information

Molecular Formula
C10H11F4N
SMILES
C[C@@H](C(F)(F)F)NCC1=CC=C(C=C1)F
InChI
InChI=1S/C10H11F4N/c1-7(10(12,13)14)15-6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m0/s1
InChIKey
KLZIMAZQYDNFPK-ZETCQYMHSA-N
Compound name
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

221.08276 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09004 143.7
[M+Na]+ 244.07198 151.2
[M-H]- 220.07548 142.1
[M+NH4]+ 239.11658 161.8
[M+K]+ 260.04592 148.1
[M+H-H2O]+ 204.08002 134.5
[M+HCOO]- 266.08096 162.0
[M+CH3COO]- 280.09661 192.0
[M+Na-2H]- 242.05743 147.9
[M]+ 221.08221 137.5
[M]- 221.08331 137.5
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