CID 155943483

2147633-38-1

Structural Information

Molecular Formula
C7H10F2O3
SMILES
COCC1(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C7H10F2O3/c1-12-4-6(5(10)11)2-7(8,9)3-6/h2-4H2,1H3,(H,10,11)
InChIKey
TUFQNTWQZKUXAF-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(methoxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0598 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 144.0
[M+Na]+ 203.04902 147.5
[M+NH4]+ 198.09362 148.3
[M+K]+ 219.02296 142.0
[M-H]- 179.05252 138.0
[M+Na-2H]- 201.03447 145.9
[M]+ 180.05925 141.5
[M]- 180.06035 141.5
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.