CID 44228134

(4-fluorocyclohexyl)methanol

Structural Information

Molecular Formula
C7H13FO
SMILES
C1CC(CCC1CO)F
InChI
InChI=1S/C7H13FO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2
InChIKey
VVXSTEREIVGSPX-UHFFFAOYSA-N
Compound name
(4-fluorocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

132.09505 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.102326 126.7
[M+Na]+ 155.084268 132.3
[M-H]- 131.087774 127.1
[M+NH4]+ 150.128873 147.9
[M+K]+ 171.058208 130.9
[M+H-H2O]+ 115.092310 121.0
[M+HCOO]- 177.093251 145.2
[M+CH3COO]- 191.108901 169.6
[M+Na-2H]- 153.069716 131.2
[M]+ 132.09450142 120.3
[M]- 132.09559858 120.3
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