CID 57368011

1092460-66-6

Structural Information

Molecular Formula
C10H10F2O3
SMILES
C1=CC(=CC(=C1)OC(F)F)CCC(=O)O
InChI
InChI=1S/C10H10F2O3/c11-10(12)15-8-3-1-2-7(6-8)4-5-9(13)14/h1-3,6,10H,4-5H2,(H,13,14)
InChIKey
GWTSEGFRVOHJSG-UHFFFAOYSA-N
Compound name
3-[3-(difluoromethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.0598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.067076 142.6
[M+Na]+ 239.049018 149.8
[M-H]- 215.052524 142.2
[M+NH4]+ 234.093623 160.2
[M+K]+ 255.022958 147.8
[M+H-H2O]+ 199.057060 135.0
[M+HCOO]- 261.058001 162.1
[M+CH3COO]- 275.073651 185.2
[M+Na-2H]- 237.034466 145.4
[M]+ 216.05925142 141.4
[M]- 216.06034858 141.4
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