CID 162036

2,3-dihydroxyalclofenac

Structural Information

Molecular Formula
C11H13ClO5
SMILES
C1=CC(=C(C=C1CC(=O)O)Cl)OCC(CO)O
InChI
InChI=1S/C11H13ClO5/c12-9-3-7(4-11(15)16)1-2-10(9)17-6-8(14)5-13/h1-3,8,13-14H,4-6H2,(H,15,16)
InChIKey
FWBDSMMEVOJFAT-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(2,3-dihydroxypropoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.04517 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05245 153.3
[M+Na]+ 283.03439 163.8
[M+NH4]+ 278.07899 159.0
[M+K]+ 299.00833 159.9
[M-H]- 259.03789 151.9
[M+Na-2H]- 281.01984 156.3
[M]+ 260.04462 154.3
[M]- 260.04572 154.3
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

No patent data available for this compound.