CID 15148409

(1s)-5-chloro-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H9ClO
SMILES
C1CC2=C([C@H]1O)C=CC(=C2)Cl
InChI
InChI=1S/C9H9ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9,11H,1,4H2/t9-/m0/s1
InChIKey
WDXUNFVYUDYDQA-VIFPVBQESA-N
Compound name
(1S)-5-chloro-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

168.0342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 130.0
[M+Na]+ 191.02342 143.7
[M+NH4]+ 186.06802 140.6
[M+K]+ 206.99736 137.9
[M-H]- 167.02692 132.7
[M+Na-2H]- 189.00887 136.3
[M]+ 168.03365 133.0
[M]- 168.03475 133.0
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