CID 129270061

4,4-difluoro-3-methylbutan-1-ol

Structural Information

Molecular Formula
C5H10F2O
SMILES
CC(CCO)C(F)F
InChI
InChI=1S/C5H10F2O/c1-4(2-3-8)5(6)7/h4-5,8H,2-3H2,1H3
InChIKey
BSHGYLHPDGUFBM-UHFFFAOYSA-N
Compound name
4,4-difluoro-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

124.06997 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07725 123.5
[M+Na]+ 147.05919 130.2
[M-H]- 123.06269 119.8
[M+NH4]+ 142.10379 145.0
[M+K]+ 163.03313 130.0
[M+H-H2O]+ 107.06723 117.7
[M+HCOO]- 169.06817 142.2
[M+CH3COO]- 183.08382 170.7
[M+Na-2H]- 145.04464 126.9
[M]+ 124.06942 120.1
[M]- 124.07052 120.1
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