CID 165892354

Tert-butyl 1-(difluoromethyl)-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C10H14F2O3
SMILES
CC(C)(C)OC(=O)C1(CC(=O)C1)C(F)F
InChI
InChI=1S/C10H14F2O3/c1-9(2,3)15-8(14)10(7(11)12)4-6(13)5-10/h7H,4-5H2,1-3H3
InChIKey
MFLBBLLRMFIMGH-UHFFFAOYSA-N
Compound name
tert-butyl 1-(difluoromethyl)-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0911 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09838 147.7
[M+Na]+ 243.08032 153.8
[M-H]- 219.08382 148.9
[M+NH4]+ 238.12492 161.7
[M+K]+ 259.05426 156.4
[M+H-H2O]+ 203.08836 137.7
[M+HCOO]- 265.08930 163.9
[M+CH3COO]- 279.10495 191.3
[M+Na-2H]- 241.06577 150.0
[M]+ 220.09055 155.4
[M]- 220.09165 155.4
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.