CID 11496052

Cyflumetofen

Structural Information

Molecular Formula
C24H24F3NO4
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC
InChI
InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3
InChIKey
AWSZRJQNBMEZOI-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

48
References

19415
Patents

447.16574 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.17302 209.0
[M+Na]+ 470.15496 216.0
[M-H]- 446.15846 210.1
[M+NH4]+ 465.19956 216.5
[M+K]+ 486.12890 211.7
[M+H-H2O]+ 430.16300 192.4
[M+HCOO]- 492.16394 218.4
[M+CH3COO]- 506.17959 237.7
[M+Na-2H]- 468.14041 208.6
[M]+ 447.16519 204.2
[M]- 447.16629 204.2
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