CID 18342450

(1-fluorocyclohexyl)methanol

Structural Information

Molecular Formula
C7H13FO
SMILES
C1CCC(CC1)(CO)F
InChI
InChI=1S/C7H13FO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6H2
InChIKey
CLRVUZYFZVVVBC-UHFFFAOYSA-N
Compound name
(1-fluorocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

132.09505 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.102326 127.3
[M+Na]+ 155.084268 132.9
[M-H]- 131.087774 127.7
[M+NH4]+ 150.128873 150.2
[M+K]+ 171.058208 131.6
[M+H-H2O]+ 115.092310 122.1
[M+HCOO]- 177.093251 145.8
[M+CH3COO]- 191.108901 168.0
[M+Na-2H]- 153.069716 133.5
[M]+ 132.09450142 120.8
[M]- 132.09559858 120.8
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