CID 165700017

2-[3-(2,4-difluorophenyl)-2-(ethylamino)propoxy]ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C13H19F2NO2
SMILES
CCNC(CC1=C(C=C(C=C1)F)F)COCCO
InChI
InChI=1S/C13H19F2NO2/c1-2-16-12(9-18-6-5-17)7-10-3-4-11(14)8-13(10)15/h3-4,8,12,16-17H,2,5-7,9H2,1H3
InChIKey
LEQMCBRJPSMEJP-UHFFFAOYSA-N
Compound name
2-[3-(2,4-difluorophenyl)-2-(ethylamino)propoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1384 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14568 158.4
[M+Na]+ 282.12762 164.3
[M-H]- 258.13112 157.6
[M+NH4]+ 277.17222 174.4
[M+K]+ 298.10156 161.1
[M+H-H2O]+ 242.13566 149.9
[M+HCOO]- 304.13660 178.4
[M+CH3COO]- 318.15225 198.3
[M+Na-2H]- 280.11307 160.3
[M]+ 259.13785 157.8
[M]- 259.13895 157.8
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.