CID 121206990

3,3-difluoro-2,2-dimethylpropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

124.06997 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07725 126.9
[M+Na]+ 147.05919 135.0
[M+NH4]+ 142.10379 133.4
[M+K]+ 163.03313 131.1
[M-H]- 123.06269 122.7
[M+Na-2H]- 145.04464 129.1
[M]+ 124.06942 126.5
[M]- 124.07052 126.5
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