CID 116122

Fluorotriacetin

Structural Information

Molecular Formula
C9H11F3O6
SMILES
C(C(CC(=O)OCF)C(=O)OCF)C(=O)OCF
InChI
InChI=1S/C9H11F3O6/c10-3-16-7(13)1-6(9(15)18-5-12)2-8(14)17-4-11/h6H,1-5H2
InChIKey
URDRYRSKJRSQEJ-UHFFFAOYSA-N
Compound name
tris(fluoromethyl) propane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05078 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05806 152.8
[M+Na]+ 295.04000 158.8
[M-H]- 271.04350 148.6
[M+NH4]+ 290.08460 168.5
[M+K]+ 311.01394 159.6
[M+H-H2O]+ 255.04804 144.4
[M+HCOO]- 317.04898 170.6
[M+CH3COO]- 331.06463 195.2
[M+Na-2H]- 293.02545 152.0
[M]+ 272.05023 155.4
[M]- 272.05133 155.4
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.