CID 65667593

[1-(2,4-difluorophenyl)-3-ethoxypropan-2-yl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C12H17F2NO
SMILES
CCOCC(CC1=C(C=C(C=C1)F)F)NC
InChI
InChI=1S/C12H17F2NO/c1-3-16-8-11(15-2)6-9-4-5-10(13)7-12(9)14/h4-5,7,11,15H,3,6,8H2,1-2H3
InChIKey
APVMLSLSAWUGEI-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-ethoxy-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.12782 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13510 150.4
[M+Na]+ 252.11704 157.3
[M-H]- 228.12054 151.3
[M+NH4]+ 247.16164 168.5
[M+K]+ 268.09098 154.7
[M+H-H2O]+ 212.12508 142.2
[M+HCOO]- 274.12602 172.1
[M+CH3COO]- 288.14167 195.8
[M+Na-2H]- 250.10249 153.4
[M]+ 229.12727 149.9
[M]- 229.12837 149.9
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.