CID 43424720

N-(2-tert-butylphenyl)-2-chloropropanamide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C(=O)NC1=CC=CC=C1C(C)(C)C)Cl
InChI
InChI=1S/C13H18ClNO/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKey
PUOBJXKRIYIOJT-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.114976 154.7
[M+Na]+ 262.096918 161.7
[M-H]- 238.100424 158.4
[M+NH4]+ 257.141523 173.4
[M+K]+ 278.070858 158.1
[M+H-H2O]+ 222.104960 149.9
[M+HCOO]- 284.105901 171.4
[M+CH3COO]- 298.121551 195.0
[M+Na-2H]- 260.082366 158.2
[M]+ 239.10715142 156.7
[M]- 239.10824858 156.7
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.