CID 57363117

1092460-76-8

Structural Information

Molecular Formula
C11H12F2O4
SMILES
COC1=C(C=CC(=C1)CCC(=O)O)OC(F)F
InChI
InChI=1S/C11H12F2O4/c1-16-9-6-7(3-5-10(14)15)2-4-8(9)17-11(12)13/h2,4,6,11H,3,5H2,1H3,(H,14,15)
InChIKey
IUDNQNDPGSVOKX-UHFFFAOYSA-N
Compound name
3-[4-(difluoromethoxy)-3-methoxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07036 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07764 149.4
[M+Na]+ 269.05958 157.0
[M-H]- 245.06308 149.2
[M+NH4]+ 264.10418 166.1
[M+K]+ 285.03352 155.4
[M+H-H2O]+ 229.06762 141.6
[M+HCOO]- 291.06856 168.8
[M+CH3COO]- 305.08421 191.5
[M+Na-2H]- 267.04503 151.1
[M]+ 246.06981 150.5
[M]- 246.07091 150.5
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.