CID 53682984

3,3-difluoropentan-1-ol

Structural Information

Molecular Formula
C5H10F2O
SMILES
CCC(CCO)(F)F
InChI
InChI=1S/C5H10F2O/c1-2-5(6,7)3-4-8/h8H,2-4H2,1H3
InChIKey
QVCDXFJGNUGCER-UHFFFAOYSA-N
Compound name
3,3-difluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
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 126.5
[M+Na]+ 147.05919 134.9
[M+NH4]+ 142.10379 133.1
[M+K]+ 163.03313 130.3
[M-H]- 123.06269 122.5
[M+Na-2H]- 145.04464 129.1
[M]+ 124.06942 126.3
[M]- 124.07052 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe