CID 75595975

1822535-60-3

Structural Information

Molecular Formula
C11H15F2NO5
SMILES
CC(C)(C)OC(=O)N1C(COC2C1C2(F)F)C(=O)O
InChI
InChI=1S/C11H15F2NO5/c1-10(2,3)19-9(17)14-5(8(15)16)4-18-7-6(14)11(7,12)13/h5-7H,4H2,1-3H3,(H,15,16)
InChIKey
GBBWKZOBCAPOHX-UHFFFAOYSA-N
Compound name
7,7-difluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09183 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09911 159.7
[M+Na]+ 302.08105 169.6
[M-H]- 278.08455 160.7
[M+NH4]+ 297.12565 171.1
[M+K]+ 318.05499 168.5
[M+H-H2O]+ 262.08909 153.5
[M+HCOO]- 324.09003 170.7
[M+CH3COO]- 338.10568 198.8
[M+Na-2H]- 300.06650 163.3
[M]+ 279.09128 162.7
[M]- 279.09238 162.7
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.