CID 354546

Nsc606562

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O4/c1-8-7-11-14(17)10-5-3-4-6-12(10)20-15(11)13(9(8)2)16(18)19/h3-7H,1-2H3,(H,18,19)
InChIKey
CZFNWHCMZWJWIW-UHFFFAOYSA-N
Compound name
2,3-dimethyl-9-oxoxanthene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.3
[M+Na]+ 291.06277 167.7
[M-H]- 267.06627 161.9
[M+NH4]+ 286.10737 172.7
[M+K]+ 307.03671 164.7
[M+H-H2O]+ 251.07081 148.8
[M+HCOO]- 313.07175 176.2
[M+CH3COO]- 327.08740 198.8
[M+Na-2H]- 289.04822 162.8
[M]+ 268.07300 161.2
[M]- 268.07410 161.2
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.