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]+ 226.98928 134.7
[M+Na]+ 248.97122 144.5
[M-H]- 224.97472 127.9
[M+NH4]+ 244.01582 153.0
[M+K]+ 264.94516 140.9
[M+H-H2O]+ 208.97926 128.4
[M+HCOO]- 270.98020 143.7
[M+CH3COO]- 284.99585 183.2
[M+Na-2H]- 246.95667 141.1
[M]+ 225.98145 129.6
[M]- 225.98255 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.