CID 91778

Chlorfenapyr

Structural Information

Molecular Formula
C15H11BrClF3N2O
SMILES
CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3
InChIKey
CWFOCCVIPCEQCK-UHFFFAOYSA-N
Compound name
4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

252
References

31478
Patents

405.96954 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.97682 178.5
[M+Na]+ 428.95876 194.7
[M-H]- 404.96226 181.0
[M+NH4]+ 424.00336 193.4
[M+K]+ 444.93270 179.4
[M+H-H2O]+ 388.96680 168.7
[M+HCOO]- 450.96774 190.3
[M+CH3COO]- 464.98339 224.3
[M+Na-2H]- 426.94421 179.3
[M]+ 405.96899 191.6
[M]- 405.97009 191.6
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