CID 62197052

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

Structural Information

Molecular Formula
C11H15F2NO
SMILES
CNC(CC1=C(C=C(C=C1)F)F)COC
InChI
InChI=1S/C11H15F2NO/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKey
VOPKICKDORISFL-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11217 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.119446 145.7
[M+Na]+ 238.101388 153.1
[M-H]- 214.104894 146.8
[M+NH4]+ 233.145993 164.4
[M+K]+ 254.075328 150.7
[M+H-H2O]+ 198.109430 137.7
[M+HCOO]- 260.110371 167.7
[M+CH3COO]- 274.126021 192.8
[M+Na-2H]- 236.086836 149.2
[M]+ 215.11162142 144.8
[M]- 215.11271858 144.8
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.