CID 10964414

1-fluoro-2-methylpropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
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]+ 115.052958 123.6
[M-H]- 91.056464 113.6
[M+NH4]+ 110.097563 138.7
[M+K]+ 131.026898 123.5
[M+H-H2O]+ 75.061000 111.5
[M+HCOO]- 137.061941 136.1
[M+CH3COO]- 151.077591 163.4
[M+Na-2H]- 113.038406 123.2
[M]+ 92.06319142 113.8
[M]- 92.06428858 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