CID 146049588

2411297-63-5

Structural Information

Molecular Formula
C7H8F2O3
SMILES
COC(=O)C1(CC(=O)C1)C(F)F
InChI
InChI=1S/C7H8F2O3/c1-12-6(11)7(5(8)9)2-4(10)3-7/h5H,2-3H2,1H3
InChIKey
ZSYNYSGTZSDRHU-UHFFFAOYSA-N
Compound name
methyl 1-(difluoromethyl)-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04414 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05142 133.6
[M+Na]+ 201.03336 140.4
[M-H]- 177.03686 135.0
[M+NH4]+ 196.07796 149.0
[M+K]+ 217.00730 143.3
[M+H-H2O]+ 161.04140 123.4
[M+HCOO]- 223.04234 152.3
[M+CH3COO]- 237.05799 182.9
[M+Na-2H]- 199.01881 136.6
[M]+ 178.04359 140.8
[M]- 178.04469 140.8
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.