CID 710697

Brn 2289728

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=C(C(=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O
InChI
InChI=1S/C16H12O4/c1-9-5-4-8-12(13(9)17)16(20)14(18)10-6-2-3-7-11(10)15(16)19/h2-8,17,20H,1H3
InChIKey
QFTNLJHWQCUPEX-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-3-methylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.1
[M+Na]+ 291.06277 168.1
[M-H]- 267.06627 163.7
[M+NH4]+ 286.10737 177.6
[M+K]+ 307.03671 163.1
[M+H-H2O]+ 251.07081 151.8
[M+HCOO]- 313.07175 178.1
[M+CH3COO]- 327.08740 193.2
[M+Na-2H]- 289.04822 160.8
[M]+ 268.07300 158.1
[M]- 268.07410 158.1
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

No patent data available for this compound.