CID 20347166

74277-66-0

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

35
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 134.9
[M+Na]+ 220.99760 145.1
[M-H]- 197.00110 139.2
[M+NH4]+ 216.04220 154.6
[M+K]+ 236.97154 142.2
[M+H-H2O]+ 181.00564 130.7
[M+HCOO]- 243.00658 150.4
[M+CH3COO]- 257.02223 179.5
[M+Na-2H]- 218.98305 142.4
[M]+ 198.00783 136.4
[M]- 198.00893 136.4
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