CID 80611065

1,1-difluoro-3-methylbutan-2-ol

Structural Information

Molecular Formula
C5H10F2O
SMILES
CC(C)C(C(F)F)O
InChI
InChI=1S/C5H10F2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3
InChIKey
LLRQYQBSCRTYGR-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

124.06997 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07725 123.5
[M+Na]+ 147.05919 130.1
[M-H]- 123.06269 120.0
[M+NH4]+ 142.10379 145.0
[M+K]+ 163.03313 130.3
[M+H-H2O]+ 107.06723 117.8
[M+HCOO]- 169.06817 141.3
[M+CH3COO]- 183.08382 171.6
[M+Na-2H]- 145.04464 125.7
[M]+ 124.06942 119.5
[M]- 124.07052 119.5
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

patents stripe