CID 5397221

2-ethyl-3-hydroxybenzo[c]chromen-6-one

Structural Information

Molecular Formula
C15H12O3
SMILES
CCC1=CC2=C(C=C1O)OC(=O)C3=CC=CC=C32
InChI
InChI=1S/C15H12O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h3-8,16H,2H2,1H3
InChIKey
LPSOMCWYWZGPLN-UHFFFAOYSA-N
Compound name
2-ethyl-3-hydroxybenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 148.7
[M+Na]+ 263.067858 160.9
[M-H]- 239.071364 155.0
[M+NH4]+ 258.112463 167.3
[M+K]+ 279.041798 157.3
[M+H-H2O]+ 223.075900 142.2
[M+HCOO]- 285.076841 170.7
[M+CH3COO]- 299.092491 163.0
[M+Na-2H]- 261.053306 158.6
[M]+ 240.07809142 153.7
[M]- 240.07918858 153.7
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

patents stripe