CID 4059124

2'-chloro-2-(4-chloro-2-methylphenoxy)-5'-(trifluoromethyl)acetanilide

Structural Information

Molecular Formula
C16H12Cl2F3NO2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C16H12Cl2F3NO2/c1-9-6-11(17)3-5-14(9)24-8-15(23)22-13-7-10(16(19,20)21)2-4-12(13)18/h2-7H,8H2,1H3,(H,22,23)
InChIKey
NWNFQAAVJUVMDC-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0197 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02698 177.6
[M+Na]+ 400.00892 188.0
[M-H]- 376.01242 180.4
[M+NH4]+ 395.05352 191.3
[M+K]+ 415.98286 180.8
[M+H-H2O]+ 360.01696 169.2
[M+HCOO]- 422.01790 187.8
[M+CH3COO]- 436.03355 216.6
[M+Na-2H]- 397.99437 178.9
[M]+ 377.01915 179.8
[M]- 377.02025 179.8
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.