CID 3053563

3-(1,1,2,2-tetrafluoroethoxy)benzeneethanamine hydrochloride

Structural Information

Molecular Formula
C10H11F4NO
SMILES
C1=CC(=CC(=C1)OC(C(F)F)(F)F)CCN
InChI
InChI=1S/C10H11F4NO/c11-9(12)10(13,14)16-8-3-1-2-7(6-8)4-5-15/h1-3,6,9H,4-5,15H2
InChIKey
AHUZESLNGZAKTQ-UHFFFAOYSA-N
Compound name
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.07768 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08496 147.3
[M+Na]+ 260.06690 154.6
[M-H]- 236.07040 145.1
[M+NH4]+ 255.11150 164.3
[M+K]+ 276.04084 151.7
[M+H-H2O]+ 220.07494 137.8
[M+HCOO]- 282.07588 165.2
[M+CH3COO]- 296.09153 194.0
[M+Na-2H]- 258.05235 150.4
[M]+ 237.07713 141.6
[M]- 237.07823 141.6
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