CID 676017

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

Structural Information

Molecular Formula
C15H13ClFNO2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C15H13ClFNO2/c1-10-8-11(16)2-7-14(10)20-9-15(19)18-13-5-3-12(17)4-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKey
QCWOUSGPTYYIMA-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0619 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06918 163.0
[M+Na]+ 316.05112 172.0
[M-H]- 292.05462 168.7
[M+NH4]+ 311.09572 179.3
[M+K]+ 332.02506 166.6
[M+H-H2O]+ 276.05916 155.3
[M+HCOO]- 338.06010 182.1
[M+CH3COO]- 352.07575 203.2
[M+Na-2H]- 314.03657 166.5
[M]+ 293.06135 165.6
[M]- 293.06245 165.6
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.