CID 13436718

2-chloro-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C9H5ClO2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)Cl
InChI
InChI=1S/C9H5ClO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7H
InChIKey
IHSSNUFJMQOCAI-UHFFFAOYSA-N
Compound name
2-chloroindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

179.9978 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.005076 132.0
[M+Na]+ 202.987018 144.0
[M-H]- 178.990524 137.4
[M+NH4]+ 198.031623 156.4
[M+K]+ 218.960958 139.5
[M+H-H2O]+ 162.995060 128.4
[M+HCOO]- 224.996001 152.1
[M+CH3COO]- 239.011651 178.6
[M+Na-2H]- 200.972466 137.5
[M]+ 179.99725142 134.7
[M]- 179.99834858 134.7
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