CID 137944919

2287280-78-6

Structural Information

Molecular Formula
C8H11FO4
SMILES
CCOC(=O)C1CC(C1)(C(=O)O)F
InChI
InChI=1S/C8H11FO4/c1-2-13-6(10)5-3-8(9,4-5)7(11)12/h5H,2-4H2,1H3,(H,11,12)
InChIKey
MDXKFNBXWXNAKK-UHFFFAOYSA-N
Compound name
3-ethoxycarbonyl-1-fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06413 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07141 139.3
[M+Na]+ 213.05335 145.0
[M-H]- 189.05685 140.4
[M+NH4]+ 208.09795 153.5
[M+K]+ 229.02729 147.7
[M+H-H2O]+ 173.06139 129.7
[M+HCOO]- 235.06233 157.4
[M+CH3COO]- 249.07798 182.7
[M+Na-2H]- 211.03880 141.8
[M]+ 190.06358 147.6
[M]- 190.06468 147.6
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.