CID 137946055

2287342-53-2

Structural Information

Molecular Formula
C8H13FO3
SMILES
CCOC(=O)C1CC(C1)(CO)F
InChI
InChI=1S/C8H13FO3/c1-2-12-7(11)6-3-8(9,4-6)5-10/h6,10H,2-5H2,1H3
InChIKey
LALCJMXBRTZKSM-UHFFFAOYSA-N
Compound name
ethyl 3-fluoro-3-(hydroxymethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08487 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.092146 136.8
[M+Na]+ 199.074088 142.7
[M-H]- 175.077594 137.9
[M+NH4]+ 194.118693 151.8
[M+K]+ 215.048028 145.0
[M+H-H2O]+ 159.082130 127.3
[M+HCOO]- 221.083071 155.5
[M+CH3COO]- 235.098721 180.6
[M+Na-2H]- 197.059536 140.6
[M]+ 176.08432142 145.0
[M]- 176.08541858 145.0
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.