CID 388149

Nsc682713

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1(C(C2=C(O1)C=CC3=C2OC4=CC=CC=C4C3=O)C(=O)O)C
InChI
InChI=1S/C18H14O5/c1-18(2)14(17(20)21)13-12(23-18)8-7-10-15(19)9-5-3-4-6-11(9)22-16(10)13/h3-8,14H,1-2H3,(H,20,21)
InChIKey
HQYDQOMEZQRCOO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-oxo-1H-furo[2,3-c]xanthene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 166.4
[M+Na]+ 333.07336 179.1
[M-H]- 309.07686 174.5
[M+NH4]+ 328.11796 185.3
[M+K]+ 349.04730 176.9
[M+H-H2O]+ 293.08140 160.7
[M+HCOO]- 355.08234 184.7
[M+CH3COO]- 369.09799 180.0
[M+Na-2H]- 331.05881 173.8
[M]+ 310.08359 173.5
[M]- 310.08469 173.5
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.