CID 21505261

5-chloro-1h-inden-1-one

Structural Information

Molecular Formula
C9H5ClO
SMILES
C1=CC2=C(C=CC2=O)C=C1Cl
InChI
InChI=1S/C9H5ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h1-5H
InChIKey
RMWLGYZHFKIXFW-UHFFFAOYSA-N
Compound name
5-chloroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

164.0029 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.010176 129.0
[M+Na]+ 186.992118 140.9
[M-H]- 162.995624 134.3
[M+NH4]+ 182.036723 153.9
[M+K]+ 202.966058 136.2
[M+H-H2O]+ 147.000160 125.1
[M+HCOO]- 209.001101 150.1
[M+CH3COO]- 223.016751 144.7
[M+Na-2H]- 184.977566 136.0
[M]+ 164.00235142 131.9
[M]- 164.00344858 131.9
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