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

126
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

No literature data available for this compound.

Patent stripe

patents stripe