CID 11546611

Chembl382644

Structural Information

Molecular Formula
C20H12Cl2F2N2O3
SMILES
C1=CC(=C(C=C1Cl)C(=O)C2=CC(=CC(=C2)F)F)OCC(=O)NC3=CN=C(C=C3)Cl
InChI
InChI=1S/C20H12Cl2F2N2O3/c21-12-1-3-17(29-10-19(27)26-15-2-4-18(22)25-9-15)16(7-12)20(28)11-5-13(23)8-14(24)6-11/h1-9H,10H2,(H,26,27)
InChIKey
HMFATUVSGNYXMG-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

436.01932 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.02660 192.9
[M+Na]+ 459.00854 202.8
[M-H]- 435.01204 198.5
[M+NH4]+ 454.05314 202.1
[M+K]+ 474.98248 195.2
[M+H-H2O]+ 419.01658 182.2
[M+HCOO]- 481.01752 203.5
[M+CH3COO]- 495.03317 227.8
[M+Na-2H]- 456.99399 192.8
[M]+ 436.01877 196.9
[M]- 436.01987 196.9
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