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

2
Patents

225.0577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06498 142.0
[M+Na]+ 248.04692 149.5
[M-H]- 224.05042 138.7
[M+NH4]+ 243.09152 159.3
[M+K]+ 264.02086 146.3
[M+H-H2O]+ 208.05496 132.4
[M+HCOO]- 270.05590 157.4
[M+CH3COO]- 284.07155 190.5
[M+Na-2H]- 246.03237 146.5
[M]+ 225.05715 132.2
[M]- 225.05825 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