CID 54685558

197504-51-1

Structural Information

Molecular Formula
C10H7ClO3
SMILES
CC1=C(C2=C(C=CC(=C2)Cl)OC1=O)O
InChI
InChI=1S/C10H7ClO3/c1-5-9(12)7-4-6(11)2-3-8(7)14-10(5)13/h2-4,12H,1H3
InChIKey
MXIUFZMCZDNDJG-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-3-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.00838 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.015656 136.7
[M+Na]+ 232.997598 149.5
[M-H]- 209.001104 142.0
[M+NH4]+ 228.042203 156.5
[M+K]+ 248.971538 146.1
[M+H-H2O]+ 193.005640 132.5
[M+HCOO]- 255.006581 154.7
[M+CH3COO]- 269.022231 183.1
[M+Na-2H]- 230.983046 144.9
[M]+ 210.00783142 141.9
[M]- 210.00892858 141.9
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