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]+ 179.051416 133.6
[M+Na]+ 201.033358 140.4
[M-H]- 177.036864 135.0
[M+NH4]+ 196.077963 149.0
[M+K]+ 217.007298 143.3
[M+H-H2O]+ 161.041400 123.4
[M+HCOO]- 223.042341 152.3
[M+CH3COO]- 237.057991 182.9
[M+Na-2H]- 199.018806 136.6
[M]+ 178.04359142 140.8
[M]- 178.04468858 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.