CID 155822462

2503204-82-6

Structural Information

Molecular Formula
C7H10F2O3
SMILES
COC(=O)C1(CC(C1)(F)F)CO
InChI
InChI=1S/C7H10F2O3/c1-12-5(11)6(4-10)2-7(8,9)3-6/h10H,2-4H2,1H3
InChIKey
GXZBUAHINOAYAG-UHFFFAOYSA-N
Compound name
methyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0598 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 135.8
[M+Na]+ 203.04902 143.1
[M-H]- 179.05252 136.2
[M+NH4]+ 198.09362 152.6
[M+K]+ 219.02296 145.2
[M+H-H2O]+ 163.05706 127.1
[M+HCOO]- 225.05800 153.8
[M+CH3COO]- 239.07365 180.2
[M+Na-2H]- 201.03447 140.7
[M]+ 180.05925 142.9
[M]- 180.06035 142.9
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.