CID 172407723

2875066-38-7

Structural Information

Molecular Formula
C14H13F5O3
SMILES
CC1C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC
InChI
InChI=1S/C14H13F5O3/c1-6-9(12(20)22-13(6,2)14(17,18)19)7-4-5-8(15)10(16)11(7)21-3/h4-6,9H,1-3H3/t6?,9?,13-/m1/s1
InChIKey
HBCSXUVNZQVYRB-BUDIUTNSSA-N
Compound name
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0785 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08578 163.3
[M+Na]+ 347.06772 175.2
[M-H]- 323.07122 165.6
[M+NH4]+ 342.11232 181.0
[M+K]+ 363.04166 172.6
[M+H-H2O]+ 307.07576 154.8
[M+HCOO]- 369.07670 178.5
[M+CH3COO]- 383.09235 208.2
[M+Na-2H]- 345.05317 163.6
[M]+ 324.07795 160.8
[M]- 324.07905 160.8
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.