CID 166159262

2875066-35-4

Structural Information

Molecular Formula
C14H11F5O3
SMILES
CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC
InChI
InChI=1S/C14H11F5O3/c1-6-9(12(20)22-13(6,2)14(17,18)19)7-4-5-8(15)10(16)11(7)21-3/h4-5H,1-3H3/t13-/m1/s1
InChIKey
NAJSQFOELXBZPY-CYBMUJFWSA-N
Compound name
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

322.06284 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07012 183.6
[M+Na]+ 345.05206 190.6
[M+NH4]+ 340.09666 187.2
[M+K]+ 361.02600 185.7
[M-H]- 321.05556 179.6
[M+Na-2H]- 343.03751 184.6
[M]+ 322.06229 183.3
[M]- 322.06339 183.3
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

patents stripe