CID 54272656

2,2-difluoro-3-hydroxypentanoic acid

Structural Information

Molecular Formula
C5H8F2O3
SMILES
CCC(C(C(=O)O)(F)F)O
InChI
InChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10)
InChIKey
RLFXUHFTSMNNLS-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

154.04414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 127.5
[M+Na]+ 177.03336 134.6
[M-H]- 153.03686 122.7
[M+NH4]+ 172.07796 147.0
[M+K]+ 193.00730 134.0
[M+H-H2O]+ 137.04140 122.2
[M+HCOO]- 199.04234 143.9
[M+CH3COO]- 213.05799 171.4
[M+Na-2H]- 175.01881 131.1
[M]+ 154.04359 123.9
[M]- 154.04469 123.9
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

patents stripe