CID 3075002

170950-57-9

Structural Information

Molecular Formula
C17H12F2O3
SMILES
CC1=CC(OC1=O)(C2=CC=C(C=C2)C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C17H12F2O3/c1-10-9-17(21,22-16(10)20)12-4-2-11(3-5-12)14-7-6-13(18)8-15(14)19/h2-9,21H,1H3
InChIKey
GBSBGNSXWCMNQM-UHFFFAOYSA-N
Compound name
5-[4-(2,4-difluorophenyl)phenyl]-5-hydroxy-3-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07544 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08272 163.9
[M+Na]+ 325.06466 175.2
[M-H]- 301.06816 172.1
[M+NH4]+ 320.10926 181.2
[M+K]+ 341.03860 170.9
[M+H-H2O]+ 285.07270 155.8
[M+HCOO]- 347.07364 184.4
[M+CH3COO]- 361.08929 200.8
[M+Na-2H]- 323.05011 166.1
[M]+ 302.07489 163.6
[M]- 302.07599 163.6
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.