CID 165765540

308-89-4

Structural Information

Molecular Formula
C7H8F4O2
SMILES
CC1(CC(C1(F)F)(F)F)C(=O)OC
InChI
InChI=1S/C7H8F4O2/c1-5(4(12)13-2)3-6(8,9)7(5,10)11/h3H2,1-2H3
InChIKey
PDXZSJSLMINEPO-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoro-1-methylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04604 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05332 136.2
[M+Na]+ 223.03526 146.0
[M-H]- 199.03876 136.3
[M+NH4]+ 218.07986 155.1
[M+K]+ 239.00920 147.7
[M+H-H2O]+ 183.04330 127.6
[M+HCOO]- 245.04424 153.4
[M+CH3COO]- 259.05989 187.4
[M+Na-2H]- 221.02071 141.1
[M]+ 200.04549 142.0
[M]- 200.04659 142.0
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.