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]+ 171.06160 130.1
[M+Na]+ 193.04354 140.5
[M-H]- 169.04704 131.5
[M+NH4]+ 188.08814 155.1
[M+K]+ 209.01748 136.8
[M+H-H2O]+ 153.05158 124.4
[M+HCOO]- 215.05252 150.6
[M+CH3COO]- 229.06817 175.7
[M+Na-2H]- 191.02899 136.1
[M]+ 170.05377 126.5
[M]- 170.05487 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.