CID 159476

Flobufen

Structural Information

Molecular Formula
C17H14F2O3
SMILES
CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)O
InChI
InChI=1S/C17H14F2O3/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,21,22)
InChIKey
FIKVYIRIUOFLLR-UHFFFAOYSA-N
Compound name
4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

1314
Patents

304.0911 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09838 171.2
[M+Na]+ 327.08032 182.2
[M+NH4]+ 322.12492 176.4
[M+K]+ 343.05426 176.6
[M-H]- 303.08382 170.9
[M+Na-2H]- 325.06577 176.1
[M]+ 304.09055 172.4
[M]- 304.09165 172.4
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