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 150.6
[M+Na]+ 275.00816 161.0
[M-H]- 251.01166 157.7
[M+NH4]+ 270.05276 168.6
[M+K]+ 290.98210 158.1
[M+H-H2O]+ 235.01620 145.6
[M+HCOO]- 297.01714 169.5
[M+CH3COO]- 311.03279 188.9
[M+Na-2H]- 272.99361 154.0
[M]+ 252.01839 156.3
[M]- 252.01949 156.3
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.