CID 129917876

6-chloro-5-hydroxy-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1CC(=O)C2=CC(=C(C=C21)O)Cl
InChI
InChI=1S/C9H7ClO2/c10-7-4-6-5(3-9(7)12)1-2-8(6)11/h3-4,12H,1-2H2
InChIKey
YVXYZYKHRJQSPT-UHFFFAOYSA-N
Compound name
6-chloro-5-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

182.01346 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 132.1
[M+Na]+ 205.00268 145.6
[M+NH4]+ 200.04728 141.8
[M+K]+ 220.97662 140.5
[M-H]- 181.00618 134.0
[M+Na-2H]- 202.98813 137.5
[M]+ 182.01291 134.8
[M]- 182.01401 134.8
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