CID 371326

Nsc645430

Structural Information

Molecular Formula
C17H12O3
SMILES
CC1=C(C(=O)OC2=C1C=CC3=C2C4=CC=CC=C4O3)C
InChI
InChI=1S/C17H12O3/c1-9-10(2)17(18)20-16-11(9)7-8-14-15(16)12-5-3-4-6-13(12)19-14/h3-8H,1-2H3
InChIKey
KSQINUQCATZCAZ-UHFFFAOYSA-N
Compound name
3,4-dimethyl-[1]benzofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07864 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 155.2
[M+Na]+ 287.06786 170.3
[M-H]- 263.07136 165.3
[M+NH4]+ 282.11246 175.3
[M+K]+ 303.04180 167.4
[M+H-H2O]+ 247.07590 149.4
[M+HCOO]- 309.07684 178.9
[M+CH3COO]- 323.09249 171.0
[M+Na-2H]- 285.05331 164.9
[M]+ 264.07809 164.6
[M]- 264.07919 164.6
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.