CID 165639515

2,2-difluoro-4-methoxybutan-1-ol

Structural Information

Molecular Formula
C5H10F2O2
SMILES
COCCC(CO)(F)F
InChI
InChI=1S/C5H10F2O2/c1-9-3-2-5(6,7)4-8/h8H,2-4H2,1H3
InChIKey
BCMDICBQKGFNLU-UHFFFAOYSA-N
Compound name
2,2-difluoro-4-methoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.06488 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07216 125.7
[M+Na]+ 163.05410 133.4
[M-H]- 139.05760 122.2
[M+NH4]+ 158.09870 146.8
[M+K]+ 179.02804 133.0
[M+H-H2O]+ 123.06214 120.2
[M+HCOO]- 185.06308 145.2
[M+CH3COO]- 199.07873 171.2
[M+Na-2H]- 161.03955 132.3
[M]+ 140.06433 124.7
[M]- 140.06543 124.7
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.