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

5
Patents

182.01346 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.020736 133.7
[M+Na]+ 205.002678 144.9
[M-H]- 181.006184 137.7
[M+NH4]+ 200.047283 157.3
[M+K]+ 220.976618 140.1
[M+H-H2O]+ 165.010720 130.3
[M+HCOO]- 227.011661 152.0
[M+CH3COO]- 241.027311 176.9
[M+Na-2H]- 202.988126 138.7
[M]+ 182.01291142 135.2
[M]- 182.01400858 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