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]+ 241.08592 148.7
[M+Na]+ 263.06786 160.9
[M-H]- 239.07136 155.0
[M+NH4]+ 258.11246 167.3
[M+K]+ 279.04180 157.3
[M+H-H2O]+ 223.07590 142.2
[M+HCOO]- 285.07684 170.7
[M+CH3COO]- 299.09249 163.0
[M+Na-2H]- 261.05331 158.6
[M]+ 240.07809 153.7
[M]- 240.07919 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