CID 4465103

2',5'-dichloro-2,2-dimethylpropionanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.03741 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe