CID 3053575

Alpha-(1-aminoethyl)-3-(1,1,2,2-tetrafluoroethoxy)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C11H13F4NO2
SMILES
CC(C(C1=CC(=CC=C1)OC(C(F)F)(F)F)O)N
InChI
InChI=1S/C11H13F4NO2/c1-6(16)9(17)7-3-2-4-8(5-7)18-11(14,15)10(12)13/h2-6,9-10,17H,16H2,1H3
InChIKey
AUXUQWKBOBCTHU-UHFFFAOYSA-N
Compound name
2-amino-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08823 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09551 155.0
[M+Na]+ 290.07745 160.9
[M-H]- 266.08095 151.4
[M+NH4]+ 285.12205 169.9
[M+K]+ 306.05139 158.5
[M+H-H2O]+ 250.08549 145.7
[M+HCOO]- 312.08643 169.4
[M+CH3COO]- 326.10208 198.3
[M+Na-2H]- 288.06290 154.8
[M]+ 267.08768 148.0
[M]- 267.08878 148.0
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.