CID 170914535

1-fluoro-3,3-dimethoxycyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11FO4
SMILES
COC1(CC(C1)(C(=O)O)F)OC
InChI
InChI=1S/C7H11FO4/c1-11-7(12-2)3-6(8,4-7)5(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKey
APFKJGCSENLRQR-UHFFFAOYSA-N
Compound name
1-fluoro-3,3-dimethoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06413 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07141 134.7
[M+Na]+ 201.05335 141.7
[M-H]- 177.05685 136.4
[M+NH4]+ 196.09795 151.5
[M+K]+ 217.02729 144.8
[M+H-H2O]+ 161.06139 126.8
[M+HCOO]- 223.06233 153.9
[M+CH3COO]- 237.07798 180.2
[M+Na-2H]- 199.03880 140.4
[M]+ 178.06358 144.6
[M]- 178.06468 144.6
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.