CID 84653664

2,2-difluoro-2,3-dihydro-1h-inden-5-ol

Structural Information

Molecular Formula
C9H8F2O
SMILES
C1C2=C(CC1(F)F)C=C(C=C2)O
InChI
InChI=1S/C9H8F2O/c10-9(11)4-6-1-2-8(12)3-7(6)5-9/h1-3,12H,4-5H2
InChIKey
FTMDSIXBYWSTCB-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-dihydroinden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05432 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.061596 130.1
[M+Na]+ 193.043538 140.5
[M-H]- 169.047044 131.5
[M+NH4]+ 188.088143 155.1
[M+K]+ 209.017478 136.8
[M+H-H2O]+ 153.051580 124.4
[M+HCOO]- 215.052521 150.6
[M+CH3COO]- 229.068171 175.7
[M+Na-2H]- 191.028986 136.1
[M]+ 170.05377142 126.5
[M]- 170.05486858 126.5
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.