CID 209782

20380-97-6

Structural Information

Molecular Formula
C13H15Cl2NO3
SMILES
C1=CC(=C(C=C1C(=O)CCC(=O)NCCCO)Cl)Cl
InChI
InChI=1S/C13H15Cl2NO3/c14-10-3-2-9(8-11(10)15)12(18)4-5-13(19)16-6-1-7-17/h2-3,8,17H,1,4-7H2,(H,16,19)
InChIKey
GRFXQBDJLYRHGA-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.0429 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05018 165.0
[M+Na]+ 326.03212 176.4
[M+NH4]+ 321.07672 171.5
[M+K]+ 342.00606 169.9
[M-H]- 302.03562 165.4
[M+Na-2H]- 324.01757 169.1
[M]+ 303.04235 167.0
[M]- 303.04345 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.