CID 3076598

131961-73-4

Structural Information

Molecular Formula
C18H22FNO3
SMILES
CN(C)CCOCC(C1=CC=C(C=C1)OC2=CC=C(C=C2)F)O
InChI
InChI=1S/C18H22FNO3/c1-20(2)11-12-22-13-18(21)14-3-7-16(8-4-14)23-17-9-5-15(19)6-10-17/h3-10,18,21H,11-13H2,1-2H3
InChIKey
LUXMZPNKUVPYBO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-[4-(4-fluorophenoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1584 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16568 175.4
[M+Na]+ 342.14762 180.4
[M-H]- 318.15112 180.2
[M+NH4]+ 337.19222 189.0
[M+K]+ 358.12156 177.9
[M+H-H2O]+ 302.15566 165.7
[M+HCOO]- 364.15660 196.9
[M+CH3COO]- 378.17225 211.7
[M+Na-2H]- 340.13307 177.1
[M]+ 319.15785 177.8
[M]- 319.15895 177.8
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

No patent data available for this compound.