CID 5912750

Nsc646769

Structural Information

Molecular Formula
C14H10O6
SMILES
C1=CC=C(C(=C1)C(=O)O)OC2=CC=C(O2)/C=C/C(=O)O
InChI
InChI=1S/C14H10O6/c15-12(16)7-5-9-6-8-13(19-9)20-11-4-2-1-3-10(11)14(17)18/h1-8H,(H,15,16)(H,17,18)/b7-5+
InChIKey
NTYKGLOVBHEZJX-FNORWQNLSA-N
Compound name
2-[5-[(E)-2-carboxyethenyl]furan-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04773 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05501 157.6
[M+Na]+ 297.03695 164.9
[M-H]- 273.04045 162.9
[M+NH4]+ 292.08155 172.4
[M+K]+ 313.01089 163.2
[M+H-H2O]+ 257.04499 151.3
[M+HCOO]- 319.04593 178.7
[M+CH3COO]- 333.06158 190.7
[M+Na-2H]- 295.02240 159.7
[M]+ 274.04718 160.4
[M]- 274.04828 160.4
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

No patent data available for this compound.