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

32
Patents

168.0342 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe