CID 174171

79489-52-4

Structural Information

Molecular Formula
C13H8Cl2FN3O2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC(=O)NC2=NC=C(C=C2)Cl)F
InChI
InChI=1S/C13H8Cl2FN3O2/c14-7-4-5-10(17-6-7)18-13(21)19-12(20)11-8(15)2-1-3-9(11)16/h1-6H,(H2,17,18,19,20,21)
InChIKey
DLAVTMVCKCOPFJ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-chloropyridin-2-yl)carbamoyl]-6-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

326.99777 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00505 166.8
[M+Na]+ 349.98699 176.2
[M-H]- 325.99049 170.8
[M+NH4]+ 345.03159 180.4
[M+K]+ 365.96093 169.9
[M+H-H2O]+ 309.99503 159.1
[M+HCOO]- 371.99597 180.5
[M+CH3COO]- 386.01162 208.0
[M+Na-2H]- 347.97244 170.0
[M]+ 326.99722 168.5
[M]- 326.99832 168.5
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

patents stripe