CID 84020623

(2,2-difluorocyclopentyl)methanol

Structural Information

Molecular Formula
C6H10F2O
SMILES
C1CC(C(C1)(F)F)CO
InChI
InChI=1S/C6H10F2O/c7-6(8)3-1-2-5(6)4-9/h5,9H,1-4H2
InChIKey
RUAMLEDOUZLLGY-UHFFFAOYSA-N
Compound name
(2,2-difluorocyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

136.06998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 124.0
[M+Na]+ 159.059198 132.0
[M-H]- 135.062704 123.8
[M+NH4]+ 154.103803 148.9
[M+K]+ 175.033138 130.4
[M+H-H2O]+ 119.067240 118.7
[M+HCOO]- 181.068181 143.9
[M+CH3COO]- 195.083831 168.7
[M+Na-2H]- 157.044646 128.5
[M]+ 136.06943142 118.4
[M]- 136.07052858 118.4
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