CID 598153

4,7-difluoro-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H8F2O
SMILES
C1CC2=C(C=CC(=C2C1O)F)F
InChI
InChI=1S/C9H8F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2
InChIKey
RZXSYFQBZXUXMP-UHFFFAOYSA-N
Compound name
4,7-difluoro-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05432 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 129.7
[M+Na]+ 193.04354 140.0
[M-H]- 169.04704 131.0
[M+NH4]+ 188.08814 153.0
[M+K]+ 209.01748 136.3
[M+H-H2O]+ 153.05158 123.7
[M+HCOO]- 215.05252 150.1
[M+CH3COO]- 229.06817 177.3
[M+Na-2H]- 191.02899 134.0
[M]+ 170.05377 126.2
[M]- 170.05487 126.2
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

No patent data available for this compound.