CID 91724

Fenpiclonil

Structural Information

Molecular Formula
C11H6Cl2N2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N
InChI
InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H
InChIKey
FKLFBQCQQYDUAM-UHFFFAOYSA-N
Compound name
4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

33481
Patents

235.9908 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99808 152.4
[M+Na]+ 258.98002 165.9
[M-H]- 234.98352 155.1
[M+NH4]+ 254.02462 169.4
[M+K]+ 274.95396 156.9
[M+H-H2O]+ 218.98806 140.1
[M+HCOO]- 280.98900 163.0
[M+CH3COO]- 295.00465 163.5
[M+Na-2H]- 256.96547 154.8
[M]+ 235.99025 148.6
[M]- 235.99135 148.6
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