CID 11589736

Chembl201084

Structural Information

Molecular Formula
C22H16ClF2NO3
SMILES
CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C22H16ClF2NO3/c1-13-4-2-3-5-19(13)26-21(27)12-29-20-7-6-15(23)10-18(20)22(28)14-8-16(24)11-17(25)9-14/h2-11H,12H2,1H3,(H,26,27)
InChIKey
WIAHHWDLCXFARH-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

415.07867 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08595 194.6
[M+Na]+ 438.06789 203.3
[M-H]- 414.07139 202.0
[M+NH4]+ 433.11249 205.4
[M+K]+ 454.04183 196.5
[M+H-H2O]+ 398.07593 183.8
[M+HCOO]- 460.07687 210.8
[M+CH3COO]- 474.09252 227.2
[M+Na-2H]- 436.05334 193.6
[M]+ 415.07812 197.2
[M]- 415.07922 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe