CID 14779471

8-chloro-5,7,4'-trihydroxy-3-c-methylflavanone

Structural Information

Molecular Formula
C16H13ClO5
SMILES
CC1C(OC2=C(C1=O)C(=CC(=C2Cl)O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H13ClO5/c1-7-14(21)12-10(19)6-11(20)13(17)16(12)22-15(7)8-2-4-9(18)5-3-8/h2-7,15,18-20H,1H3
InChIKey
ZOHPKYIJNNAJAJ-UHFFFAOYSA-N
Compound name
8-chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.04517 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05245 168.4
[M+Na]+ 343.03439 179.3
[M-H]- 319.03789 174.0
[M+NH4]+ 338.07899 182.2
[M+K]+ 359.00833 174.6
[M+H-H2O]+ 303.04243 162.8
[M+HCOO]- 365.04337 180.1
[M+CH3COO]- 379.05902 201.9
[M+Na-2H]- 341.01984 171.0
[M]+ 320.04462 171.1
[M]- 320.04572 171.1
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