CID 28372813

3-[4-(difluoromethoxy)phenyl]propanoic acid

Structural Information

Molecular Formula
C10H10F2O3
SMILES
C1=CC(=CC=C1CCC(=O)O)OC(F)F
InChI
InChI=1S/C10H10F2O3/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-2,4-5,10H,3,6H2,(H,13,14)
InChIKey
FOBBJWXKCGHQLT-UHFFFAOYSA-N
Compound name
3-[4-(difluoromethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.0598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06708 142.6
[M+Na]+ 239.04902 149.8
[M-H]- 215.05252 142.2
[M+NH4]+ 234.09362 160.2
[M+K]+ 255.02296 147.8
[M+H-H2O]+ 199.05706 135.0
[M+HCOO]- 261.05800 162.1
[M+CH3COO]- 275.07365 185.2
[M+Na-2H]- 237.03447 145.4
[M]+ 216.05925 141.4
[M]- 216.06035 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