CID 20347166

6-chloro-7-hydroxychroman-4-one

Structural Information

Molecular Formula
C9H7ClO3
SMILES
C1COC2=CC(=C(C=C2C1=O)Cl)O
InChI
InChI=1S/C9H7ClO3/c10-6-3-5-7(11)1-2-13-9(5)4-8(6)12/h3-4,12H,1-2H2
InChIKey
FAVCXTXNWXODPJ-UHFFFAOYSA-N
Compound name
6-chloro-7-hydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

198.00838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 134.6
[M+Na]+ 220.99760 149.2
[M+NH4]+ 216.04220 143.9
[M+K]+ 236.97154 142.8
[M-H]- 197.00110 138.1
[M+Na-2H]- 218.98305 140.2
[M]+ 198.00783 138.0
[M]- 198.00893 138.0
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