CID 165605012

2731007-03-5

Structural Information

Molecular Formula
C11H15FO4
SMILES
CC(C)(C)OC(=O)C12CC(C1)(C2F)C(=O)O
InChI
InChI=1S/C11H15FO4/c1-9(2,3)16-8(15)11-4-10(5-11,6(11)12)7(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKey
MUOBKNKKUSHNCH-UHFFFAOYSA-N
Compound name
2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.09544 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10272 176.6
[M+Na]+ 253.08466 179.1
[M-H]- 229.08816 177.5
[M+NH4]+ 248.12926 180.2
[M+K]+ 269.05860 185.2
[M+H-H2O]+ 213.09270 163.7
[M+HCOO]- 275.09364 184.5
[M+CH3COO]- 289.10929 214.4
[M+Na-2H]- 251.07011 179.2
[M]+ 230.09489 201.4
[M]- 230.09599 201.4
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.