CID 155822452

2503203-24-3

Structural Information

Molecular Formula
C7H11FO3
SMILES
COC1(CC(C1)CF)C(=O)O
InChI
InChI=1S/C7H11FO3/c1-11-7(6(9)10)2-5(3-7)4-8/h5H,2-4H2,1H3,(H,9,10)
InChIKey
WOEDXPUDWRVLKV-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)-1-methoxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06923 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 131.9
[M+Na]+ 185.05845 138.2
[M-H]- 161.06195 133.2
[M+NH4]+ 180.10305 147.4
[M+K]+ 201.03239 140.7
[M+H-H2O]+ 145.06649 122.6
[M+HCOO]- 207.06743 151.0
[M+CH3COO]- 221.08308 178.4
[M+Na-2H]- 183.04390 136.3
[M]+ 162.06868 139.9
[M]- 162.06978 139.9
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.