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]+ 301.07068 164.6
[M+Na]+ 323.05262 171.8
[M-H]- 299.05612 166.7
[M+NH4]+ 318.09722 176.8
[M+K]+ 339.02656 167.5
[M+H-H2O]+ 283.06066 157.8
[M+HCOO]- 345.06160 181.9
[M+CH3COO]- 359.07725 195.1
[M+Na-2H]- 321.03807 164.7
[M]+ 300.06285 163.8
[M]- 300.06395 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.