CID 6435416

82846-15-9

Structural Information

Molecular Formula
C16H12O6
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)C(=O)O)O
InChI
InChI=1S/C16H12O6/c17-12-4-2-1-3-9(12)5-6-13(18)10-7-11(16(21)22)15(20)8-14(10)19/h1-8,17,19-20H,(H,21,22)/b6-5+
InChIKey
UUPGDVDSPBUICO-AATRIKPKSA-N
Compound name
2,4-dihydroxy-5-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.070676 164.6
[M+Na]+ 323.052618 171.8
[M-H]- 299.056124 166.7
[M+NH4]+ 318.097223 176.8
[M+K]+ 339.026558 167.5
[M+H-H2O]+ 283.060660 157.8
[M+HCOO]- 345.061601 181.9
[M+CH3COO]- 359.077251 195.1
[M+Na-2H]- 321.038066 164.7
[M]+ 300.06285142 163.8
[M]- 300.06394858 163.8
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.