CID 122163677

2-(2-fluoro-2-methylpropoxy)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C8H17FO2
SMILES
CC(C)(CO)OCC(C)(C)F
InChI
InChI=1S/C8H17FO2/c1-7(2,9)6-11-8(3,4)5-10/h10H,5-6H2,1-4H3
InChIKey
XXERLMYLLAVUET-UHFFFAOYSA-N
Compound name
2-(2-fluoro-2-methylpropoxy)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12126 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12854 136.7
[M+Na]+ 187.11048 143.6
[M-H]- 163.11398 134.4
[M+NH4]+ 182.15508 157.1
[M+K]+ 203.08442 143.3
[M+H-H2O]+ 147.11852 132.4
[M+HCOO]- 209.11946 154.7
[M+CH3COO]- 223.13511 178.0
[M+Na-2H]- 185.09593 143.2
[M]+ 164.12071 137.5
[M]- 164.12181 137.5
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

No patent data available for this compound.