CID 84785115

2-amino-2-[4-(2,2-difluoroethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C10H13F2NO2
SMILES
C1=CC(=CC=C1C(CO)N)OCC(F)F
InChI
InChI=1S/C10H13F2NO2/c11-10(12)6-15-8-3-1-7(2-4-8)9(13)5-14/h1-4,9-10,14H,5-6,13H2
InChIKey
FPKACVZCEAUVEL-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09143 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09871 145.7
[M+Na]+ 240.08065 151.8
[M-H]- 216.08415 144.6
[M+NH4]+ 235.12525 162.8
[M+K]+ 256.05459 149.4
[M+H-H2O]+ 200.08869 137.7
[M+HCOO]- 262.08963 165.1
[M+CH3COO]- 276.10528 188.3
[M+Na-2H]- 238.06610 147.6
[M]+ 217.09088 141.9
[M]- 217.09198 141.9
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.