CID 75433607

2-(benzylamino)-1-[3-(difluoromethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C16H17F2NO2
SMILES
C1=CC=C(C=C1)CNCC(C2=CC(=CC=C2)OC(F)F)O
InChI
InChI=1S/C16H17F2NO2/c17-16(18)21-14-8-4-7-13(9-14)15(20)11-19-10-12-5-2-1-3-6-12/h1-9,15-16,19-20H,10-11H2
InChIKey
RZAXFKGKFNQOES-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-[3-(difluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.12274 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13002 165.9
[M+Na]+ 316.11196 170.5
[M-H]- 292.11546 167.9
[M+NH4]+ 311.15656 179.6
[M+K]+ 332.08590 166.4
[M+H-H2O]+ 276.12000 156.0
[M+HCOO]- 338.12094 185.3
[M+CH3COO]- 352.13659 202.7
[M+Na-2H]- 314.09741 168.3
[M]+ 293.12219 162.8
[M]- 293.12329 162.8
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

patents stripe