CID 388151

Nsc682715

Structural Information

Molecular Formula
C20H16O5
SMILES
CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)C(=O)O)C
InChI
InChI=1S/C20H16O5/c1-20(2)17(19(22)23)16-14(25-20)9-8-12-13(21)10-15(24-18(12)16)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,22,23)
InChIKey
IBFIGGWXZUBEMK-UHFFFAOYSA-N
Compound name
8,8-dimethyl-4-oxo-2-phenyl-9H-furo[2,3-h]chromene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 175.5
[M+Na]+ 359.08898 186.3
[M-H]- 335.09248 185.3
[M+NH4]+ 354.13358 191.9
[M+K]+ 375.06292 184.1
[M+H-H2O]+ 319.09702 169.0
[M+HCOO]- 381.09796 193.4
[M+CH3COO]- 395.11361 188.0
[M+Na-2H]- 357.07443 180.2
[M]+ 336.09921 180.5
[M]- 336.10031 180.5
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.