CID 28493405

1-(4-ethoxyphenyl)-2,2,2-trifluoroethan-1-amine

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CCOC1=CC=C(C=C1)[C@H](C(F)(F)F)N
InChI
InChI=1S/C10H12F3NO/c1-2-15-8-5-3-7(4-6-8)9(14)10(11,12)13/h3-6,9H,2,14H2,1H3/t9-/m1/s1
InChIKey
JYVFWICHKIJYQB-SECBINFHSA-N
Compound name
(1R)-1-(4-ethoxyphenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.0871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.094376 144.7
[M+Na]+ 242.076318 152.2
[M-H]- 218.079824 144.0
[M+NH4]+ 237.120923 162.7
[M+K]+ 258.050258 149.7
[M+H-H2O]+ 202.084360 136.4
[M+HCOO]- 264.085301 163.8
[M+CH3COO]- 278.100951 190.5
[M+Na-2H]- 240.061766 148.5
[M]+ 219.08655142 140.2
[M]- 219.08764858 140.2
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