CID 50210

Fenpirithrin

Structural Information

Molecular Formula
C21H18Cl2N2O3
SMILES
CC1(C(C1C(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI
InChI=1S/C21H18Cl2N2O3/c1-21(2)14(11-17(22)23)19(21)20(26)28-16(12-24)15-9-6-10-18(25-15)27-13-7-4-3-5-8-13/h3-11,14,16,19H,1-2H3
InChIKey
IHVPAVRHNZFQKC-UHFFFAOYSA-N
Compound name
[cyano-(6-phenoxypyridin-2-yl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7341
Patents

416.06946 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.07674 184.8
[M+Na]+ 439.05868 200.4
[M-H]- 415.06218 192.8
[M+NH4]+ 434.10328 193.4
[M+K]+ 455.03262 189.6
[M+H-H2O]+ 399.06672 174.7
[M+HCOO]- 461.06766 194.4
[M+CH3COO]- 475.08331 230.4
[M+Na-2H]- 437.04413 186.2
[M]+ 416.06891 189.4
[M]- 416.07001 189.4
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