CID 11126179

2-fluoro-2-methylpropan-1-ol

Structural Information

Molecular Formula
C4H9FO
SMILES
CC(C)(CO)F
InChI
InChI=1S/C4H9FO/c1-4(2,5)3-6/h6H,3H2,1-2H3
InChIKey
VQDNMKWCOYVVJH-UHFFFAOYSA-N
Compound name
2-fluoro-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1279
Patents

92.06374 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.071016 115.4
[M+Na]+ 115.05296 123.6
[M-H]- 91.056464 113.6
[M+NH4]+ 110.09756 138.7
[M+K]+ 131.02690 123.5
[M+H-H2O]+ 75.061000 111.5
[M+HCOO]- 137.06194 136.1
[M+CH3COO]- 151.07759 163.4
[M+Na-2H]- 113.03841 123.2
[M]+ 92.063191 113.8
[M]- 92.064289 113.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe