CID 105660

R4h2s6t7gs

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=C2C3=CC=CC=C3C(=O)OC2=C(C=C1)C(=O)OC
InChI
InChI=1S/C16H12O4/c1-9-7-8-12(15(17)19-2)14-13(9)10-5-3-4-6-11(10)16(18)20-14/h3-8H,1-2H3
InChIKey
KMKSTIMFSHHDHY-UHFFFAOYSA-N
Compound name
methyl 1-methyl-6-oxobenzo[c]chromene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 155.3
[M+Na]+ 291.062768 167.3
[M-H]- 267.066274 162.9
[M+NH4]+ 286.107373 173.1
[M+K]+ 307.036708 165.0
[M+H-H2O]+ 251.070810 148.2
[M+HCOO]- 313.071751 177.7
[M+CH3COO]- 327.087401 199.2
[M+Na-2H]- 289.048216 163.9
[M]+ 268.07300142 162.4
[M]- 268.07409858 162.4
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.