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]+ 153.10855 131.5
[M+Na]+ 175.09049 138.9
[M-H]- 151.09399 128.0
[M+NH4]+ 170.13509 152.3
[M+K]+ 191.06443 137.9
[M+H-H2O]+ 135.09853 126.6
[M+HCOO]- 197.09947 148.5
[M+CH3COO]- 211.11512 175.8
[M+Na-2H]- 173.07594 137.8
[M]+ 152.10072 129.2
[M]- 152.10182 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.