CID 165765019

1071131-42-4

Structural Information

Molecular Formula
C7H8F4O3
SMILES
COC(=O)C1(CC(C1(F)F)(F)F)CO
InChI
InChI=1S/C7H8F4O3/c1-14-4(13)5(3-12)2-6(8,9)7(5,10)11/h12H,2-3H2,1H3
InChIKey
HSQAIGJWLNDZBV-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04823 140.8
[M+Na]+ 239.03017 150.0
[M-H]- 215.03367 139.4
[M+NH4]+ 234.07477 158.2
[M+K]+ 255.00411 151.4
[M+H-H2O]+ 199.03821 132.2
[M+HCOO]- 261.03915 156.6
[M+CH3COO]- 275.05480 186.8
[M+Na-2H]- 237.01562 145.2
[M]+ 216.04040 146.3
[M]- 216.04150 146.3
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.