CID 11242458

2,2,3,3,3-pentafluoro-1-phenylpropan-1-amine

Structural Information

Molecular Formula
C9H8F5N
SMILES
C1=CC=C(C=C1)C(C(C(F)(F)F)(F)F)N
InChI
InChI=1S/C9H8F5N/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h1-5,7H,15H2
InChIKey
AGGIAQNUHJQMCT-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-1-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.0577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.064976 142.0
[M+Na]+ 248.046918 149.5
[M-H]- 224.050424 138.7
[M+NH4]+ 243.091523 159.3
[M+K]+ 264.020858 146.3
[M+H-H2O]+ 208.054960 132.4
[M+HCOO]- 270.055901 157.4
[M+CH3COO]- 284.071551 190.5
[M+Na-2H]- 246.032366 146.5
[M]+ 225.05715142 132.2
[M]- 225.05824858 132.2
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