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]+ 239.046946 146.4
[M+Na]+ 261.028888 158.3
[M-H]- 237.032394 151.4
[M+NH4]+ 256.073493 165.1
[M+K]+ 277.002828 154.4
[M+H-H2O]+ 221.036930 141.7
[M+HCOO]- 283.037871 163.7
[M+CH3COO]- 297.053521 189.1
[M+Na-2H]- 259.014336 153.5
[M]+ 238.03912142 152.3
[M]- 238.04021858 152.3
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.