CID 36967

4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-1-(2-furyl)-1,3-butanediol

Structural Information

Molecular Formula
C9H8Cl2F4O3
SMILES
C1=COC(=C1)C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)O
InChI
InChI=1S/C9H8Cl2F4O3/c10-8(12,13)7(17,9(11,14)15)4-5(16)6-2-1-3-18-6/h1-3,5,16-17H,4H2
InChIKey
AAWKFIIQLOMJEV-UHFFFAOYSA-N
Compound name
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-(furan-2-yl)butane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.97867 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.98595 153.9
[M+Na]+ 332.96789 162.3
[M-H]- 308.97139 150.3
[M+NH4]+ 328.01249 168.9
[M+K]+ 348.94183 157.9
[M+H-H2O]+ 292.97593 148.1
[M+HCOO]- 354.97687 156.7
[M+CH3COO]- 368.99252 193.9
[M+Na-2H]- 330.95334 158.6
[M]+ 309.97812 151.8
[M]- 309.97922 151.8
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.