CID 3053580

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

Structural Information

Molecular Formula
C10H11F4NO2
SMILES
C1=CC(=CC(=C1)OC(C(F)F)(F)F)C(CN)O
InChI
InChI=1S/C10H11F4NO2/c11-9(12)10(13,14)17-7-3-1-2-6(4-7)8(16)5-15/h1-4,8-9,16H,5,15H2
InChIKey
KHSMUWCUASNIBQ-UHFFFAOYSA-N
Compound name
2-amino-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07987 150.4
[M+Na]+ 276.06181 157.0
[M-H]- 252.06531 146.9
[M+NH4]+ 271.10641 165.9
[M+K]+ 292.03575 154.3
[M+H-H2O]+ 236.06985 141.1
[M+HCOO]- 298.07079 166.1
[M+CH3COO]- 312.08644 194.4
[M+Na-2H]- 274.04726 151.9
[M]+ 253.07204 143.6
[M]- 253.07314 143.6
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

No patent data available for this compound.