CID 6454645

1-benzopyrylium, 2-(2,4-dihydroxyphenyl)-7-hydroxy-3-methoxy-, chloride

Structural Information

Molecular Formula
C16H13O5
SMILES
COC1=C([O+]=C2C=C(C=CC2=C1)O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C16H12O5/c1-20-15-6-9-2-3-11(18)8-14(9)21-16(15)12-5-4-10(17)7-13(12)19/h2-8H,1H3,(H2-,17,18,19)/p+1
InChIKey
SKYONYABWJZMHV-UHFFFAOYSA-O
Compound name
4-(7-hydroxy-3-methoxychromenylium-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08358 160.4
[M+Na]+ 308.06552 178.3
[M+NH4]+ 303.11012 169.3
[M+K]+ 324.03946 172.8
[M-H]- 284.06902 167.2
[M+Na-2H]- 306.05097 168.5
[M]+ 285.07575 165.4
[M]- 285.07685 165.4
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.