CID 5926755

4-(chloromethyl)-6-ethyl-7-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C12H11ClO3
SMILES
CCC1=CC2=C(C=C1O)OC(=O)C=C2CCl
InChI
InChI=1S/C12H11ClO3/c1-2-7-3-9-8(6-13)4-12(15)16-11(9)5-10(7)14/h3-5,14H,2,6H2,1H3
InChIKey
VVIUWQFKBOEJFI-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-ethyl-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03967 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04695 146.2
[M+Na]+ 261.02889 162.5
[M+NH4]+ 256.07349 155.2
[M+K]+ 277.00283 155.1
[M-H]- 237.03239 150.2
[M+Na-2H]- 259.01434 152.6
[M]+ 238.03912 150.1
[M]- 238.04022 150.1
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.