CID 5428505

2-chloro-3-hydroxy-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C13H7ClO3
SMILES
C1=CC=C2C(=C1)C3=CC(=C(C=C3OC2=O)O)Cl
InChI
InChI=1S/C13H7ClO3/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h1-6,15H
InChIKey
RMVBXXJNOAXYHY-UHFFFAOYSA-N
Compound name
2-chloro-3-hydroxybenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

246.00838 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01566 145.4
[M+Na]+ 268.99760 159.4
[M-H]- 245.00110 151.9
[M+NH4]+ 264.04220 164.7
[M+K]+ 284.97154 154.7
[M+H-H2O]+ 229.00564 140.2
[M+HCOO]- 291.00658 163.6
[M+CH3COO]- 305.02223 160.2
[M+Na-2H]- 266.98305 156.0
[M]+ 246.00783 152.1
[M]- 246.00893 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe