CID 132344078

2-[4-(1-fluoroethenyl)oxan-4-yl]acetic acid

Structural Information

Molecular Formula
C9H13FO3
SMILES
C=C(C1(CCOCC1)CC(=O)O)F
InChI
InChI=1S/C9H13FO3/c1-7(10)9(6-8(11)12)2-4-13-5-3-9/h1-6H2,(H,11,12)
InChIKey
BXJWCMSENPKHPL-UHFFFAOYSA-N
Compound name
2-[4-(1-fluoroethenyl)oxan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08487 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09215 139.7
[M+Na]+ 211.07409 144.6
[M-H]- 187.07759 140.5
[M+NH4]+ 206.11869 158.8
[M+K]+ 227.04803 144.6
[M+H-H2O]+ 171.08213 134.3
[M+HCOO]- 233.08307 155.5
[M+CH3COO]- 247.09872 178.1
[M+Na-2H]- 209.05954 143.6
[M]+ 188.08432 134.9
[M]- 188.08542 134.9
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.