CID 16226930

2-chloro-n-[2-(4-isopropylphenyl)ethyl]acetamide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C)C1=CC=C(C=C1)CCNC(=O)CCl
InChI
InChI=1S/C13H18ClNO/c1-10(2)12-5-3-11(4-6-12)7-8-15-13(16)9-14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKey
DMVLXAQUJBRWMC-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 155.5
[M+Na]+ 262.09692 161.9
[M-H]- 238.10042 158.6
[M+NH4]+ 257.14152 173.8
[M+K]+ 278.07086 157.7
[M+H-H2O]+ 222.10496 149.9
[M+HCOO]- 284.10590 173.7
[M+CH3COO]- 298.12155 195.3
[M+Na-2H]- 260.08237 158.1
[M]+ 239.10715 157.9
[M]- 239.10825 157.9
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.