CID 3054999

1h-indene-1,3(2h)-dione, 2-hydroxy-2-(2-hydroxy-4-methyl-5-(methylthio)phenyl)-

Structural Information

Molecular Formula
C17H14O4S
SMILES
CC1=CC(=C(C=C1SC)C2(C(=O)C3=CC=CC=C3C2=O)O)O
InChI
InChI=1S/C17H14O4S/c1-9-7-13(18)12(8-14(9)22-2)17(21)15(19)10-5-3-4-6-11(10)16(17)20/h3-8,18,21H,1-2H3
InChIKey
QNWHMDNJSFSRIE-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-4-methyl-5-methylsulfanylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06128 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06856 170.5
[M+Na]+ 337.05050 183.6
[M+NH4]+ 332.09510 179.8
[M+K]+ 353.02444 175.1
[M-H]- 313.05400 173.4
[M+Na-2H]- 335.03595 176.7
[M]+ 314.06073 173.8
[M]- 314.06183 173.8
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.