CID 4271594

N-butyl-3,5-dichlorobenzamide

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CCCCNC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO/c1-2-3-4-14-11(15)8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H,14,15)
InChIKey
XETYXBRKOYHSPN-UHFFFAOYSA-N
Compound name
N-butyl-3,5-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03741 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 151.7
[M+Na]+ 268.02663 160.5
[M-H]- 244.03013 154.7
[M+NH4]+ 263.07123 170.6
[M+K]+ 284.00057 154.9
[M+H-H2O]+ 228.03467 147.5
[M+HCOO]- 290.03561 166.4
[M+CH3COO]- 304.05126 194.1
[M+Na-2H]- 266.01208 155.2
[M]+ 245.03686 155.5
[M]- 245.03796 155.5
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.