CID 81358497

2-fluoro-2-(oxan-4-yl)acetic acid

Structural Information

Molecular Formula
C7H11FO3
SMILES
C1COCCC1C(C(=O)O)F
InChI
InChI=1S/C7H11FO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4H2,(H,9,10)
InChIKey
GPSPMTRMJOYICS-UHFFFAOYSA-N
Compound name
2-fluoro-2-(oxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06923 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 132.4
[M+Na]+ 185.05845 136.9
[M-H]- 161.06195 133.2
[M+NH4]+ 180.10305 150.5
[M+K]+ 201.03239 137.6
[M+H-H2O]+ 145.06649 126.2
[M+HCOO]- 207.06743 148.7
[M+CH3COO]- 221.08308 173.4
[M+Na-2H]- 183.04390 136.1
[M]+ 162.06868 127.2
[M]- 162.06978 127.2
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.