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

44
Patents

198.00838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.015656 134.9
[M+Na]+ 220.997598 145.1
[M-H]- 197.001104 139.2
[M+NH4]+ 216.042203 154.6
[M+K]+ 236.971538 142.2
[M+H-H2O]+ 181.005640 130.7
[M+HCOO]- 243.006581 150.4
[M+CH3COO]- 257.022231 179.5
[M+Na-2H]- 218.983046 142.4
[M]+ 198.00783142 136.4
[M]- 198.00892858 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