CID 853962

2-(4-chloro-2-methylphenoxy)-2'-methylacetanilide

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)C
InChI
InChI=1S/C16H16ClNO2/c1-11-5-3-4-6-14(11)18-16(19)10-20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
DGTPGJUMJDSFNQ-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09422 165.1
[M+Na]+ 312.07616 173.6
[M-H]- 288.07966 172.1
[M+NH4]+ 307.12076 181.6
[M+K]+ 328.05010 168.5
[M+H-H2O]+ 272.08420 158.3
[M+HCOO]- 334.08514 185.0
[M+CH3COO]- 348.10079 203.5
[M+Na-2H]- 310.06161 168.6
[M]+ 289.08639 169.2
[M]- 289.08749 169.2
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.