CID 656612

Transfluthrin

Structural Information

Molecular Formula
C15H12Cl2F4O2
SMILES
CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C
InChI
InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1
InChIKey
DDVNRFNDOPPVQJ-HQJQHLMTSA-N
Compound name
(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

110
References

26892
Patents

370.01505 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.02233 173.1
[M+Na]+ 393.00427 182.0
[M+NH4]+ 388.04887 178.3
[M+K]+ 408.97821 177.1
[M-H]- 369.00777 175.0
[M+Na-2H]- 390.98972 177.8
[M]+ 370.01450 175.9
[M]- 370.01560 175.9
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