CID 14008486

2-fluoro-3-methylbutan-1-ol

Structural Information

Molecular Formula
C5H11FO
SMILES
CC(C)C(CO)F
InChI
InChI=1S/C5H11FO/c1-4(2)5(6)3-7/h4-5,7H,3H2,1-2H3
InChIKey
GRRGZCQZZLXSGF-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

106.07939 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.08667 121.0
[M+Na]+ 129.06861 127.8
[M-H]- 105.07211 118.8
[M+NH4]+ 124.11321 143.4
[M+K]+ 145.04255 127.9
[M+H-H2O]+ 89.076650 116.2
[M+HCOO]- 151.07759 140.8
[M+CH3COO]- 165.09324 167.9
[M+Na-2H]- 127.05406 125.0
[M]+ 106.07884 118.9
[M]- 106.07994 118.9
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