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]+ 177.09215 136.8
[M+Na]+ 199.07409 142.7
[M-H]- 175.07759 137.9
[M+NH4]+ 194.11869 151.8
[M+K]+ 215.04803 145.0
[M+H-H2O]+ 159.08213 127.3
[M+HCOO]- 221.08307 155.5
[M+CH3COO]- 235.09872 180.6
[M+Na-2H]- 197.05954 140.6
[M]+ 176.08432 145.0
[M]- 176.08542 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.