CID 145915779

2381248-03-7

Structural Information

Molecular Formula
C8H8F2O4
SMILES
COC(=O)C12CC(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C8H8F2O4/c1-14-5(13)7-2-6(3-7,4(11)12)8(7,9)10/h2-3H2,1H3,(H,11,12)
InChIKey
GVZIBXMGSLQXHN-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03906 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04634 169.2
[M+Na]+ 229.02828 164.6
[M+NH4]+ 224.07288 167.7
[M+K]+ 245.00222 161.7
[M-H]- 205.03178 158.8
[M+Na-2H]- 227.01373 163.5
[M]+ 206.03851 163.0
[M]- 206.03961 163.0
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.