CID 165630365

4,4-difluoro-2-methoxybutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.04414 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 127.7
[M+Na]+ 177.03336 134.5
[M-H]- 153.03686 124.1
[M+NH4]+ 172.07796 147.7
[M+K]+ 193.00730 135.0
[M+H-H2O]+ 137.04140 121.6
[M+HCOO]- 199.04234 146.1
[M+CH3COO]- 213.05799 174.6
[M+Na-2H]- 175.01881 129.8
[M]+ 154.04359 125.9
[M]- 154.04469 125.9
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.