CID 59090

101913-78-4

Structural Information

Molecular Formula
C10H8Cl4F8O3
SMILES
CC(C(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C10H8Cl4F8O3/c1-3(6(25,9(13,19)20)10(14,21)22)4(23)2-5(24,7(11,15)16)8(12,17)18/h3,24-25H,2H2,1H3
InChIKey
KCIDOOFWLXHRKV-UHFFFAOYSA-N
Compound name
1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-2,6-dihydroxy-3-methylheptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.90997 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.91725 167.8
[M+Na]+ 490.89919 175.3
[M-H]- 466.90269 156.1
[M+NH4]+ 485.94379 176.3
[M+K]+ 506.87313 169.2
[M+H-H2O]+ 450.90723 161.8
[M+HCOO]- 512.90817 152.4
[M+CH3COO]- 526.92382 222.9
[M+Na-2H]- 488.88464 170.3
[M]+ 467.90942 159.1
[M]- 467.91052 159.1
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.