CID 19083207

4-fluoro-2-methylpentan-2-ol

Structural Information

Molecular Formula
C6H13FO
SMILES
CC(CC(C)(C)O)F
InChI
InChI=1S/C6H13FO/c1-5(7)4-6(2,3)8/h5,8H,4H2,1-3H3
InChIKey
ZFXICXAHZZJUTI-UHFFFAOYSA-N
Compound name
4-fluoro-2-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

120.09505 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10233 124.7
[M+Na]+ 143.08427 131.8
[M-H]- 119.08777 122.6
[M+NH4]+ 138.12887 146.8
[M+K]+ 159.05821 131.7
[M+H-H2O]+ 103.09231 120.5
[M+HCOO]- 165.09325 143.7
[M+CH3COO]- 179.10890 170.4
[M+Na-2H]- 141.06972 130.2
[M]+ 120.09450 123.2
[M]- 120.09560 123.2
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