CID 21782485

6-chloro-3,4-dihydro-1h-2-benzopyran-1,3-dione

Structural Information

Molecular Formula
C9H5ClO3
SMILES
C1C2=C(C=CC(=C2)Cl)C(=O)OC1=O
InChI
InChI=1S/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-3H,4H2
InChIKey
VSKJOLVEBVHDCL-UHFFFAOYSA-N
Compound name
6-chloro-4H-isochromene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

195.99272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00000 133.1
[M+Na]+ 218.98194 148.4
[M+NH4]+ 214.02654 142.6
[M+K]+ 234.95588 141.6
[M-H]- 194.98544 137.0
[M+Na-2H]- 216.96739 139.3
[M]+ 195.99217 136.7
[M]- 195.99327 136.7
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