CID 54686348

19484-57-2

Structural Information

Molecular Formula
C9H5ClO3
SMILES
C1=CC2=C(C=C1Cl)C(=CC(=O)O2)O
InChI
InChI=1S/C9H5ClO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey
HUMZENGQNOATEQ-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

143
Patents

195.99272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00000 132.4
[M+Na]+ 218.98194 148.9
[M+NH4]+ 214.02654 141.9
[M+K]+ 234.95588 142.1
[M-H]- 194.98544 136.4
[M+Na-2H]- 216.96739 139.8
[M]+ 195.99217 136.3
[M]- 195.99327 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe