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 133.7
[M+Na]+ 205.00268 144.9
[M-H]- 181.00618 137.7
[M+NH4]+ 200.04728 157.3
[M+K]+ 220.97662 140.1
[M+H-H2O]+ 165.01072 130.3
[M+HCOO]- 227.01166 152.0
[M+CH3COO]- 241.02731 176.9
[M+Na-2H]- 202.98813 138.7
[M]+ 182.01291 135.2
[M]- 182.01401 135.2
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