CID 54676606

64729-38-0

Structural Information

Molecular Formula
C10H7ClO3
SMILES
CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)O
InChI
InChI=1S/C10H7ClO3/c1-5-2-9-6(3-7(5)11)8(12)4-10(13)14-9/h2-4,12H,1H3
InChIKey
WOILRPBEBXTBKT-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-7-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

210.00838 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 136.7
[M+Na]+ 232.99760 149.5
[M-H]- 209.00110 142.0
[M+NH4]+ 228.04220 156.5
[M+K]+ 248.97154 146.1
[M+H-H2O]+ 193.00564 132.5
[M+HCOO]- 255.00658 154.7
[M+CH3COO]- 269.02223 183.1
[M+Na-2H]- 230.98305 144.9
[M]+ 210.00783 141.9
[M]- 210.00893 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