CID 4769469

443124-74-1

Structural Information

Molecular Formula
C12H9ClO4
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)O)Cl
InChI
InChI=1S/C12H9ClO4/c1-16-10-3-2-7(6-8(10)13)9-4-5-11(17-9)12(14)15/h2-6H,1H3,(H,14,15)
InChIKey
SZXPTYONCGXZNJ-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01894 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02622 150.4
[M+Na]+ 275.00816 164.3
[M+NH4]+ 270.05276 158.2
[M+K]+ 290.98210 160.6
[M-H]- 251.01166 154.2
[M+Na-2H]- 272.99361 156.9
[M]+ 252.01839 153.7
[M]- 252.01949 153.7
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.