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 168.6
[M+Na]+ 229.02828 172.8
[M-H]- 205.03178 169.2
[M+NH4]+ 224.07288 174.4
[M+K]+ 245.00222 178.1
[M+H-H2O]+ 189.03632 156.4
[M+HCOO]- 251.03726 177.7
[M+CH3COO]- 265.05291 210.0
[M+Na-2H]- 227.01373 172.0
[M]+ 206.03851 192.5
[M]- 206.03961 192.5
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.