CID 8961

Chlorindanol

Structural Information

Molecular Formula
C9H9ClO
SMILES
C1CC2=C(C=CC(=C2C1)Cl)O
InChI
InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
InChIKey
ATAJVFBUUIBIEO-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1H-inden-4-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

413
Patents

168.0342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.041476 132.3
[M+Na]+ 191.023418 142.5
[M-H]- 167.026924 135.9
[M+NH4]+ 186.068023 156.4
[M+K]+ 206.997358 137.7
[M+H-H2O]+ 151.031460 128.6
[M+HCOO]- 213.032401 150.3
[M+CH3COO]- 227.048051 146.6
[M+Na-2H]- 189.008866 137.9
[M]+ 168.03365142 132.6
[M]- 168.03474858 132.6
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