CID 3063335

100482-83-5

Structural Information

Molecular Formula
C5H4ClF5O2
SMILES
C(C=O)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C5H4ClF5O2/c6-4(7,8)3(13,1-2-12)5(9,10)11/h2,13H,1H2
InChIKey
BFZCNIWWHOBLLD-UHFFFAOYSA-N
Compound name
3-[chloro(difluoro)methyl]-4,4,4-trifluoro-3-hydroxybutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.989276 134.7
[M+Na]+ 248.971218 144.5
[M-H]- 224.974724 127.9
[M+NH4]+ 244.015823 153.0
[M+K]+ 264.945158 140.9
[M+H-H2O]+ 208.979260 128.4
[M+HCOO]- 270.980201 143.7
[M+CH3COO]- 284.995851 183.2
[M+Na-2H]- 246.956666 141.1
[M]+ 225.98145142 129.6
[M]- 225.98254858 129.6
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.