CID 83815747

4-(fluoromethyl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C7H11FO3
SMILES
C1COCCC1(CF)C(=O)O
InChI
InChI=1S/C7H11FO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H,9,10)
InChIKey
DWUGJEHXFKHTNY-UHFFFAOYSA-N
Compound name
4-(fluoromethyl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06923 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 131.7
[M+Na]+ 185.05845 137.4
[M-H]- 161.06195 132.8
[M+NH4]+ 180.10305 152.0
[M+K]+ 201.03239 137.9
[M+H-H2O]+ 145.06649 126.4
[M+HCOO]- 207.06743 149.0
[M+CH3COO]- 221.08308 172.0
[M+Na-2H]- 183.04390 137.9
[M]+ 162.06868 127.5
[M]- 162.06978 127.5
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

No patent data available for this compound.