CID 11332681

4-chloro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1CC(=O)C2=C1C(=CC=C2)Cl
InChI
InChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey
MYCZDIIPHIGLCH-UHFFFAOYSA-N
Compound name
4-chloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

166.01854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025816 130.9
[M+Na]+ 189.007758 141.7
[M-H]- 165.011264 135.8
[M+NH4]+ 184.052363 155.6
[M+K]+ 204.981698 137.2
[M+H-H2O]+ 149.015800 126.9
[M+HCOO]- 211.016741 150.5
[M+CH3COO]- 225.032391 176.3
[M+Na-2H]- 186.993206 136.9
[M]+ 166.01799142 132.3
[M]- 166.01908858 132.3
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