CID 128645

Mr 714

Structural Information

Molecular Formula
C15H12F2O3
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C15H12F2O3/c1-9(15(18)19)20-12-5-2-10(3-6-12)13-7-4-11(16)8-14(13)17/h2-9H,1H3,(H,18,19)
InChIKey
SZWWLSFFGGWCCC-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

278.07544 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08272 158.6
[M+Na]+ 301.06466 166.8
[M-H]- 277.06816 161.9
[M+NH4]+ 296.10926 173.9
[M+K]+ 317.03860 163.1
[M+H-H2O]+ 261.07270 149.7
[M+HCOO]- 323.07364 177.8
[M+CH3COO]- 337.08929 198.4
[M+Na-2H]- 299.05011 159.9
[M]+ 278.07489 157.5
[M]- 278.07599 157.5
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