CID 5271525

6-chloro-3-hydroxy-2-(4-methoxyphenyl)chroman-4-one

Structural Information

Molecular Formula
C16H13ClO4
SMILES
COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)Cl)O
InChI
InChI=1S/C16H13ClO4/c1-20-11-5-2-9(3-6-11)16-15(19)14(18)12-8-10(17)4-7-13(12)21-16/h2-8,15-16,19H,1H3
InChIKey
BLQHWQZCBDIBBM-UHFFFAOYSA-N
Compound name
6-chloro-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.05023 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05751 165.0
[M+Na]+ 327.03945 175.2
[M-H]- 303.04295 172.5
[M+NH4]+ 322.08405 180.4
[M+K]+ 343.01339 171.2
[M+H-H2O]+ 287.04749 158.5
[M+HCOO]- 349.04843 179.6
[M+CH3COO]- 363.06408 201.3
[M+Na-2H]- 325.02490 169.6
[M]+ 304.04968 168.9
[M]- 304.05078 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

No patent data available for this compound.