CID 2446561

795290-86-7

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C13H16ClNO2/c1-13(2,3)12(17)15-10-6-4-9(5-7-10)11(16)8-14/h4-7H,8H2,1-3H3,(H,15,17)
InChIKey
JPRPQXWYQYKBOO-UHFFFAOYSA-N
Compound name
N-[4-(2-chloroacetyl)phenyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.094236 156.5
[M+Na]+ 276.076178 163.7
[M-H]- 252.079684 160.2
[M+NH4]+ 271.120783 174.4
[M+K]+ 292.050118 160.0
[M+H-H2O]+ 236.084220 151.5
[M+HCOO]- 298.085161 173.6
[M+CH3COO]- 312.100811 196.1
[M+Na-2H]- 274.061626 160.0
[M]+ 253.08641142 159.2
[M]- 253.08750858 159.2
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.