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]+ 246.044686 151.7
[M+Na]+ 268.026628 160.5
[M-H]- 244.030134 154.7
[M+NH4]+ 263.071233 170.6
[M+K]+ 284.000568 154.9
[M+H-H2O]+ 228.034670 147.5
[M+HCOO]- 290.035611 166.4
[M+CH3COO]- 304.051261 194.1
[M+Na-2H]- 266.012076 155.2
[M]+ 245.03686142 155.5
[M]- 245.03795858 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.