CID 5393166

87893-58-1

Structural Information

Molecular Formula
C9H5ClO3
SMILES
C1=CC(=O)OC2=CC(=C(C=C21)Cl)O
InChI
InChI=1S/C9H5ClO3/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,11H
InChIKey
CFVSMUGHMLAHRB-UHFFFAOYSA-N
Compound name
6-chloro-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

195.99272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00000 132.1
[M+Na]+ 218.98194 144.5
[M-H]- 194.98544 137.2
[M+NH4]+ 214.02654 152.2
[M+K]+ 234.95588 141.2
[M+H-H2O]+ 178.98998 127.9
[M+HCOO]- 240.99092 150.5
[M+CH3COO]- 255.00657 178.9
[M+Na-2H]- 216.96739 141.6
[M]+ 195.99217 136.6
[M]- 195.99327 136.6
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

patents stripe