CID 5282227

Metofluthrin

Structural Information

Molecular Formula
C18H20F4O3
SMILES
C/C=C/C1C(C1(C)C)C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F
InChI
InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5+
InChIKey
KVIZNNVXXNFLMU-AATRIKPKSA-N
Compound name
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

57
References

12723
Patents

360.13486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14214 169.6
[M+Na]+ 383.12408 182.0
[M-H]- 359.12758 173.0
[M+NH4]+ 378.16868 181.0
[M+K]+ 399.09802 176.7
[M+H-H2O]+ 343.13212 160.7
[M+HCOO]- 405.13306 186.8
[M+CH3COO]- 419.14871 221.1
[M+Na-2H]- 381.10953 167.4
[M]+ 360.13431 174.5
[M]- 360.13541 174.5
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