CID 3053567

3,4,5-tris(1,1,2,2-tetrafluoroethoxy)benzeneethanamine hydrochloride

Structural Information

Molecular Formula
C14H11F12NO3
SMILES
C1=C(C=C(C(=C1OC(C(F)F)(F)F)OC(C(F)F)(F)F)OC(C(F)F)(F)F)CCN
InChI
InChI=1S/C14H11F12NO3/c15-9(16)12(21,22)28-6-3-5(1-2-27)4-7(29-13(23,24)10(17)18)8(6)30-14(25,26)11(19)20/h3-4,9-11H,1-2,27H2
InChIKey
IUDSILFEZVSQNR-UHFFFAOYSA-N
Compound name
2-[3,4,5-tris(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.05472 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06200 193.3
[M+Na]+ 492.04394 201.3
[M-H]- 468.04744 181.8
[M+NH4]+ 487.08854 200.4
[M+K]+ 508.01788 197.5
[M+H-H2O]+ 452.05198 177.4
[M+HCOO]- 514.05292 196.5
[M+CH3COO]- 528.06857 237.0
[M+Na-2H]- 490.02939 188.4
[M]+ 469.05417 179.1
[M]- 469.05527 179.1
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.