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
1
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]+ 269.08083 155.3
[M+Na]+ 291.06277 167.3
[M-H]- 267.06627 162.9
[M+NH4]+ 286.10737 173.1
[M+K]+ 307.03671 165.0
[M+H-H2O]+ 251.07081 148.2
[M+HCOO]- 313.07175 177.7
[M+CH3COO]- 327.08740 199.2
[M+Na-2H]- 289.04822 163.9
[M]+ 268.07300 162.4
[M]- 268.07410 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.