CID 138949

N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
CC(C)(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO/c1-11(2,3)10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
InChIKey
WMFDYXPRRHDSQS-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

245.03741 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 151.8
[M+Na]+ 268.02663 161.2
[M-H]- 244.03013 155.4
[M+NH4]+ 263.07123 170.9
[M+K]+ 284.00057 156.0
[M+H-H2O]+ 228.03467 148.2
[M+HCOO]- 290.03561 165.0
[M+CH3COO]- 304.05126 193.8
[M+Na-2H]- 266.01208 156.0
[M]+ 245.03686 155.1
[M]- 245.03796 155.1
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

patents stripe