CID 40152266

1150617-60-9

Structural Information

Molecular Formula
C7H11FO3
SMILES
COC(=O)C1(CCOCC1)F
InChI
InChI=1S/C7H11FO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5H2,1H3
InChIKey
MMRSDRAYRVDTJH-UHFFFAOYSA-N
Compound name
methyl 4-fluorooxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

162.06923 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 130.9
[M+Na]+ 185.05845 137.1
[M-H]- 161.06195 133.5
[M+NH4]+ 180.10305 152.0
[M+K]+ 201.03239 138.7
[M+H-H2O]+ 145.06649 125.4
[M+HCOO]- 207.06743 149.8
[M+CH3COO]- 221.08308 174.0
[M+Na-2H]- 183.04390 137.7
[M]+ 162.06868 128.5
[M]- 162.06978 128.5
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

patents stripe