CID 63897169

2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14F3NO3
SMILES
COC1=CC(=CC(=C1OC)OC)C(C(F)(F)F)N
InChI
InChI=1S/C11H14F3NO3/c1-16-7-4-6(10(15)11(12,13)14)5-8(17-2)9(7)18-3/h4-5,10H,15H2,1-3H3
InChIKey
DTMMWTIWVAGCLH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09988 154.9
[M+Na]+ 288.08182 163.5
[M-H]- 264.08532 154.7
[M+NH4]+ 283.12642 171.5
[M+K]+ 304.05576 162.0
[M+H-H2O]+ 248.08986 146.3
[M+HCOO]- 310.09080 174.0
[M+CH3COO]- 324.10645 200.1
[M+Na-2H]- 286.06727 156.9
[M]+ 265.09205 154.4
[M]- 265.09315 154.4
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.