CID 122163823

3,3-difluoro-2,2-dimethylpentan-1-ol

Structural Information

Molecular Formula
C7H14F2O
SMILES
CCC(C(C)(C)CO)(F)F
InChI
InChI=1S/C7H14F2O/c1-4-7(8,9)6(2,3)5-10/h10H,4-5H2,1-3H3
InChIKey
AUJKTRLKFOYXCV-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.10127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.108546 131.5
[M+Na]+ 175.090488 138.9
[M-H]- 151.093994 128.0
[M+NH4]+ 170.135093 152.3
[M+K]+ 191.064428 137.9
[M+H-H2O]+ 135.098530 126.6
[M+HCOO]- 197.099471 148.5
[M+CH3COO]- 211.115121 175.8
[M+Na-2H]- 173.075936 137.8
[M]+ 152.10072142 129.2
[M]- 152.10181858 129.2
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.