CID 71317160

Griseofulvic acid

Structural Information

Molecular Formula
C16H15ClO6
SMILES
C[C@@H]1CC(=O)CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl
InChI
InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(19)16(7)15(20)12-9(21-2)6-10(22-3)13(17)14(12)23-16/h6-7H,4-5H2,1-3H3/t7-,16+/m1/s1
InChIKey
YIQRSAKVWZVLDN-QZTNRIJFSA-N
Compound name
(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

338.05573 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06301 168.6
[M+Na]+ 361.04495 180.7
[M-H]- 337.04845 177.0
[M+NH4]+ 356.08955 188.0
[M+K]+ 377.01889 177.7
[M+H-H2O]+ 321.05299 164.7
[M+HCOO]- 383.05393 183.2
[M+CH3COO]- 397.06958 209.7
[M+Na-2H]- 359.03040 170.7
[M]+ 338.05518 175.6
[M]- 338.05628 175.6
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.