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
6
Annotation Hits

113
References

28565
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 156.8
[M+Na]+ 393.00427 169.9
[M-H]- 369.00777 159.3
[M+NH4]+ 388.04887 168.8
[M+K]+ 408.97821 162.6
[M+H-H2O]+ 353.01231 150.0
[M+HCOO]- 415.01325 165.2
[M+CH3COO]- 429.02890 217.6
[M+Na-2H]- 390.98972 155.1
[M]+ 370.01450 161.5
[M]- 370.01560 161.5
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