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
5
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 156.7
[M+Na]+ 296.02157 165.6
[M-H]- 272.02507 160.3
[M+NH4]+ 291.06617 174.5
[M+K]+ 311.99551 160.7
[M+H-H2O]+ 256.02961 153.0
[M+HCOO]- 318.03055 169.2
[M+CH3COO]- 332.04620 199.4
[M+Na-2H]- 294.00702 159.5
[M]+ 273.03180 160.7
[M]- 273.03290 160.7
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.