CID 3015486

3,5-dichloro-n-(2-methyl-3-oxobutan-2-yl)benzamide

Structural Information

Molecular Formula
C12H13Cl2NO2
SMILES
CC(=O)C(C)(C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C12H13Cl2NO2/c1-7(16)12(2,3)15-11(17)8-4-9(13)6-10(14)5-8/h4-6H,1-3H3,(H,15,17)
InChIKey
IOSJQUCGMMIFFY-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

273.03235 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03963 158.8
[M+Na]+ 296.02157 171.0
[M+NH4]+ 291.06617 166.1
[M+K]+ 311.99551 165.1
[M-H]- 272.02507 159.7
[M+Na-2H]- 294.00702 164.0
[M]+ 273.03180 161.3
[M]- 273.03290 161.3
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.