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 142.5
[M+Na]+ 246.05125 151.3
[M-H]- 222.05475 140.9
[M+NH4]+ 241.09585 160.5
[M+K]+ 262.02519 148.7
[M+H-H2O]+ 206.05929 133.6
[M+HCOO]- 268.06023 160.8
[M+CH3COO]- 282.07588 191.5
[M+Na-2H]- 244.03670 145.5
[M]+ 223.06148 136.7
[M]- 223.06258 136.7
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.