CID 22297292

6-chlorocatechin

Structural Information

Molecular Formula
C15H13ClO6
SMILES
C1C(C(OC2=C1C(=C(C(=C2)O)Cl)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2
InChIKey
BHTBHJNGFQRAJI-UHFFFAOYSA-N
Compound name
6-chloro-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.04007 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04735 167.8
[M+Na]+ 347.02929 177.7
[M-H]- 323.03279 170.9
[M+NH4]+ 342.07389 180.0
[M+K]+ 363.00323 173.1
[M+H-H2O]+ 307.03733 162.7
[M+HCOO]- 369.03827 176.9
[M+CH3COO]- 383.05392 197.9
[M+Na-2H]- 345.01474 170.2
[M]+ 324.03952 168.9
[M]- 324.04062 168.9
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

patents stripe