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

138
Patents

195.99272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.999996 132.1
[M+Na]+ 218.981938 144.5
[M-H]- 194.985444 137.2
[M+NH4]+ 214.026543 152.2
[M+K]+ 234.955878 141.2
[M+H-H2O]+ 178.989980 127.9
[M+HCOO]- 240.990921 150.5
[M+CH3COO]- 255.006571 178.9
[M+Na-2H]- 216.967386 141.6
[M]+ 195.99217142 136.6
[M]- 195.99326858 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