CID 3053565

3,5-bis(1,1,2,2-tetrafluoroethoxy)benzeneethanamine hydrochloride

Structural Information

Molecular Formula
C12H11F8NO2
SMILES
C1=C(C=C(C=C1OC(C(F)F)(F)F)OC(C(F)F)(F)F)CCN
InChI
InChI=1S/C12H11F8NO2/c13-9(14)11(17,18)22-7-3-6(1-2-21)4-8(5-7)23-12(19,20)10(15)16/h3-5,9-10H,1-2,21H2
InChIKey
OLKYMJUWNYAIQI-UHFFFAOYSA-N
Compound name
2-[3,5-bis(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0662 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07348 184.4
[M+Na]+ 376.05542 185.9
[M+NH4]+ 371.10002 184.1
[M+K]+ 392.02936 183.1
[M-H]- 352.05892 176.9
[M+Na-2H]- 374.04087 182.3
[M]+ 353.06565 182.0
[M]- 353.06675 182.0
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.