CID 6435417

82846-16-0

Structural Information

Molecular Formula
C17H12O8
SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)C(=O)O)C(=O)O)O
InChI
InChI=1S/C17H12O8/c18-12(9-6-11(17(24)25)15(21)7-14(9)20)3-1-8-2-4-13(19)10(5-8)16(22)23/h1-7,19-21H,(H,22,23)(H,24,25)/b3-1+
InChIKey
OYEUDHNILRCDKI-HNQUOIGGSA-N
Compound name
5-[(E)-3-(3-carboxy-4-hydroxyphenyl)prop-2-enoyl]-2,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.060496 172.3
[M+Na]+ 367.042438 178.9
[M-H]- 343.045944 173.2
[M+NH4]+ 362.087043 181.8
[M+K]+ 383.016378 175.5
[M+H-H2O]+ 327.050480 165.4
[M+HCOO]- 389.051421 187.2
[M+CH3COO]- 403.067071 202.8
[M+Na-2H]- 365.027886 169.9
[M]+ 344.05267142 172.0
[M]- 344.05376858 172.0
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.