CID 72698925

(1-fluorocyclobutyl)methanol

Structural Information

Molecular Formula
C5H9FO
SMILES
C1CC(C1)(CO)F
InChI
InChI=1S/C5H9FO/c6-5(4-7)2-1-3-5/h7H,1-4H2
InChIKey
KKIPAQKFWDBCFV-UHFFFAOYSA-N
Compound name
(1-fluorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

104.06374 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 117.5
[M+Na]+ 127.052958 124.1
[M-H]- 103.056464 118.9
[M+NH4]+ 122.097563 135.4
[M+K]+ 143.026898 126.2
[M+H-H2O]+ 87.061000 108.8
[M+HCOO]- 149.061941 137.7
[M+CH3COO]- 163.077591 167.6
[M+Na-2H]- 125.038406 124.9
[M]+ 104.06319142 122.9
[M]- 104.06428858 122.9
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