CID 121161

Brn 2093378

Structural Information

Molecular Formula
C5H4Cl2F4O2
SMILES
C(C=O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C5H4Cl2F4O2/c6-4(8,9)3(13,1-2-12)5(7,10)11/h2,13H,1H2
InChIKey
KVUGMJGOBSJLAZ-UHFFFAOYSA-N
Compound name
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.95245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95973 136.3
[M+Na]+ 264.94167 146.3
[M-H]- 240.94517 130.5
[M+NH4]+ 259.98627 154.4
[M+K]+ 280.91561 141.4
[M+H-H2O]+ 224.94971 131.6
[M+HCOO]- 286.95065 141.6
[M+CH3COO]- 300.96630 185.6
[M+Na-2H]- 262.92712 142.8
[M]+ 241.95190 133.8
[M]- 241.95300 133.8
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.