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 146.4
[M+Na]+ 261.02889 158.3
[M-H]- 237.03239 151.4
[M+NH4]+ 256.07349 165.1
[M+K]+ 277.00283 154.4
[M+H-H2O]+ 221.03693 141.7
[M+HCOO]- 283.03787 163.7
[M+CH3COO]- 297.05352 189.1
[M+Na-2H]- 259.01434 153.5
[M]+ 238.03912 152.3
[M]- 238.04022 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.