CID 42614780

6-chloro-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H9ClO
SMILES
C1CC2=C(C1O)C=C(C=C2)Cl
InChI
InChI=1S/C9H9ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9,11H,2,4H2
InChIKey
IVDNEJBOKXINDZ-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 132.3
[M+Na]+ 191.02342 142.5
[M-H]- 167.02692 135.9
[M+NH4]+ 186.06802 156.4
[M+K]+ 206.99736 137.7
[M+H-H2O]+ 151.03146 128.6
[M+HCOO]- 213.03240 150.3
[M+CH3COO]- 227.04805 146.6
[M+Na-2H]- 189.00887 137.9
[M]+ 168.03365 132.6
[M]- 168.03475 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

No literature data available for this compound.

Patent stripe

patents stripe