CID 61383520

4,6-dichloro-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
C1CC2=C(C1O)C=C(C=C2Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9,12H,1-2H2
InChIKey
ZIMJJJUNFVBXJO-UHFFFAOYSA-N
Compound name
4,6-dichloro-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

201.99522 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 139.2
[M+Na]+ 224.98444 150.6
[M-H]- 200.98794 142.3
[M+NH4]+ 220.02904 162.4
[M+K]+ 240.95838 144.4
[M+H-H2O]+ 184.99248 136.4
[M+HCOO]- 246.99342 151.9
[M+CH3COO]- 261.00907 153.0
[M+Na-2H]- 222.96989 143.2
[M]+ 201.99467 140.9
[M]- 201.99577 140.9
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