CID 214759

Brn 2847253

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CC(C(=O)NCCC1=CC(=CC=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO/c1-8(12)11(15)14-6-5-9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKey
LCNFVEREKLRWSO-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(3-chlorophenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03741 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 151.8
[M+Na]+ 268.02663 159.5
[M-H]- 244.03013 154.6
[M+NH4]+ 263.07123 170.3
[M+K]+ 284.00057 154.3
[M+H-H2O]+ 228.03467 147.5
[M+HCOO]- 290.03561 165.6
[M+CH3COO]- 304.05126 193.9
[M+Na-2H]- 266.01208 154.8
[M]+ 245.03686 154.7
[M]- 245.03796 154.7
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.