CID 56971844

1213010-73-1

Structural Information

Molecular Formula
C9H9F4NO
SMILES
COC1=C(C=C(C=C1)[C@H](C(F)(F)F)N)F
InChI
InChI=1S/C9H9F4NO/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKey
XXLGVMVNOAINFF-MRVPVSSYSA-N
Compound name
(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06203 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06931 151.5
[M+Na]+ 246.05125 158.6
[M+NH4]+ 241.09585 155.9
[M+K]+ 262.02519 154.4
[M-H]- 222.05475 147.4
[M+Na-2H]- 244.03670 154.1
[M]+ 223.06148 151.0
[M]- 223.06258 151.0
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

No patent data available for this compound.