CID 24847689

102585-09-1

Structural Information

Molecular Formula
C23H27ClO4
SMILES
CC1(CCC2=C(C1=O)C(C3C(=O)CC(CC3(O2)O)(C)C)C4=CC=CC=C4Cl)C
InChI
InChI=1S/C23H27ClO4/c1-21(2)11-15(25)19-17(13-7-5-6-8-14(13)24)18-16(28-23(19,27)12-21)9-10-22(3,4)20(18)26/h5-8,17,19,27H,9-12H2,1-4H3
InChIKey
KTUZKICMWAOFEM-UHFFFAOYSA-N
Compound name
9-(2-chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,4,5,6,9,9a-hexahydroxanthene-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16708 191.1
[M+Na]+ 425.14902 200.7
[M-H]- 401.15252 198.5
[M+NH4]+ 420.19362 209.4
[M+K]+ 441.12296 196.0
[M+H-H2O]+ 385.15706 184.2
[M+HCOO]- 447.15800 197.2
[M+CH3COO]- 461.17365 200.8
[M+Na-2H]- 423.13447 193.5
[M]+ 402.15925 191.7
[M]- 402.16035 191.7
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.