CID 4384446

N-(4-chloro-2-nitrophenyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C11H13ClN2O3
SMILES
CC(C)(C)C(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H13ClN2O3/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKey
IOGMTRJJIWRGJR-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-nitrophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06874 153.3
[M+Na]+ 279.05068 165.6
[M+NH4]+ 274.09528 160.6
[M+K]+ 295.02462 163.0
[M-H]- 255.05418 155.8
[M+Na-2H]- 277.03613 158.7
[M]+ 256.06091 155.9
[M]- 256.06201 155.9
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

No patent data available for this compound.