CID 43401005

2-{[1-(2,4-difluorophenyl)ethyl]amino}-n-ethylacetamide

Structural Information

Molecular Formula
C12H16F2N2O
SMILES
CCNC(=O)CNC(C)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)
InChIKey
MBDHDPFJMNIJOR-UHFFFAOYSA-N
Compound name
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13034 154.8
[M+Na]+ 265.11228 163.0
[M+NH4]+ 260.15688 160.5
[M+K]+ 281.08622 157.7
[M-H]- 241.11578 154.2
[M+Na-2H]- 263.09773 158.6
[M]+ 242.12251 155.3
[M]- 242.12361 155.3
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.