CID 11217449

7-chloro-1-indanone

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1CC(=O)C2=C1C=CC=C2Cl
InChI
InChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKey
YNFZQNGHYQYLCF-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

166.01854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 129.1
[M+Na]+ 189.00776 143.3
[M+NH4]+ 184.05236 139.8
[M+K]+ 204.98170 137.1
[M-H]- 165.01126 132.0
[M+Na-2H]- 186.99321 135.8
[M]+ 166.01799 132.2
[M]- 166.01909 132.2
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