CID 6447296

73176-66-6

Structural Information

Molecular Formula
C22H20F4O3
SMILES
CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(\C(F)(F)F)/F)C
InChI
InChI=1S/C22H20F4O3/c1-21(2)17(12-18(23)22(24,25)26)19(21)20(27)28-13-14-7-6-10-16(11-14)29-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/b18-12+/t17-,19+/m0/s1
InChIKey
LOYWCOCIPZLUCI-NGSBBRTASA-N
Compound name
(3-phenoxyphenyl)methyl (1S,3R)-2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.13486 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14214 184.7
[M+Na]+ 431.12408 193.4
[M-H]- 407.12758 189.7
[M+NH4]+ 426.16868 192.6
[M+K]+ 447.09802 188.5
[M+H-H2O]+ 391.13212 173.9
[M+HCOO]- 453.13306 200.0
[M+CH3COO]- 467.14871 224.1
[M+Na-2H]- 429.10953 184.8
[M]+ 408.13431 185.8
[M]- 408.13541 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.