CID 64162190

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

Structural Information

Molecular Formula
C13H13F2NO
SMILES
CNC(CC1=C(C=C(C=C1)F)F)C2=COC=C2
InChI
InChI=1S/C13H13F2NO/c1-16-13(10-4-5-17-8-10)6-9-2-3-11(14)7-12(9)15/h2-5,7-8,13,16H,6H2,1H3
InChIKey
GAZXGOUAFIQOPD-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(furan-3-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09653 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10381 150.5
[M+Na]+ 260.08575 158.4
[M-H]- 236.08925 155.6
[M+NH4]+ 255.13035 168.5
[M+K]+ 276.05969 155.9
[M+H-H2O]+ 220.09379 142.1
[M+HCOO]- 282.09473 173.2
[M+CH3COO]- 296.11038 194.3
[M+Na-2H]- 258.07120 154.0
[M]+ 237.09598 149.4
[M]- 237.09708 149.4
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.