CID 5398846

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

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2CCl
InChI
InChI=1S/C10H7ClO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
InChIKey
TXSLBPGPBNGHRW-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

267
Patents

210.00838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 136.9
[M+Na]+ 232.99760 148.9
[M-H]- 209.00110 141.9
[M+NH4]+ 228.04220 156.5
[M+K]+ 248.97154 145.4
[M+H-H2O]+ 193.00564 132.5
[M+HCOO]- 255.00658 155.0
[M+CH3COO]- 269.02223 181.9
[M+Na-2H]- 230.98305 145.9
[M]+ 210.00783 141.8
[M]- 210.00893 141.8
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.