CID 155973079

2648939-99-3

Structural Information

Molecular Formula
C6H10F2O3
SMILES
C(CC(CCO)(F)F)C(=O)O
InChI
InChI=1S/C6H10F2O3/c7-6(8,3-4-9)2-1-5(10)11/h9H,1-4H2,(H,10,11)
InChIKey
KPWNBYUYHYKZTN-UHFFFAOYSA-N
Compound name
4,4-difluoro-6-hydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0598 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06708 132.4
[M+Na]+ 191.04902 139.3
[M-H]- 167.05252 127.3
[M+NH4]+ 186.09362 151.4
[M+K]+ 207.02296 138.0
[M+H-H2O]+ 151.05706 126.8
[M+HCOO]- 213.05800 149.4
[M+CH3COO]- 227.07365 173.5
[M+Na-2H]- 189.03447 136.8
[M]+ 168.05925 129.9
[M]- 168.06035 129.9
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.