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]+ 220.09438 144.7
[M+Na]+ 242.07632 152.2
[M-H]- 218.07982 144.0
[M+NH4]+ 237.12092 162.7
[M+K]+ 258.05026 149.7
[M+H-H2O]+ 202.08436 136.4
[M+HCOO]- 264.08530 163.8
[M+CH3COO]- 278.10095 190.5
[M+Na-2H]- 240.06177 148.5
[M]+ 219.08655 140.2
[M]- 219.08765 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