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 170.5
[M+Na]+ 376.05542 178.2
[M-H]- 352.05892 163.3
[M+NH4]+ 371.10002 182.5
[M+K]+ 392.02936 174.6
[M+H-H2O]+ 336.06346 157.5
[M+HCOO]- 398.06440 180.9
[M+CH3COO]- 412.08005 215.9
[M+Na-2H]- 374.04087 169.2
[M]+ 353.06565 160.7
[M]- 353.06675 160.7
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.