CID 213013

Boscalid

Structural Information

Molecular Formula
C18H12Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl
InChI
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
InChIKey
WYEMLYFITZORAB-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

214
References

42017
Patents

342.03265 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03993 178.0
[M+Na]+ 365.02187 196.3
[M+NH4]+ 360.06647 187.2
[M+K]+ 380.99581 185.7
[M-H]- 341.02537 185.2
[M+Na-2H]- 363.00732 190.1
[M]+ 342.03210 183.5
[M]- 342.03320 183.5
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

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