CID 57365255

5-fluoro-2-(trifluoromethoxy)benzylamine

Structural Information

Molecular Formula
C8H7F4NO
SMILES
C1=CC(=C(C=C1F)CN)OC(F)(F)F
InChI
InChI=1S/C8H7F4NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2
InChIKey
FPZXDOJFLLZXCM-UHFFFAOYSA-N
Compound name
[5-fluoro-2-(trifluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.04637 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05365 147.2
[M+Na]+ 232.03559 154.8
[M+NH4]+ 227.08019 151.9
[M+K]+ 248.00953 150.1
[M-H]- 208.03909 143.4
[M+Na-2H]- 230.02104 150.3
[M]+ 209.04582 146.8
[M]- 209.04692 146.8
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