CID 377631

101932-16-5

Structural Information

Molecular Formula
C11H8Cl4F8O3
SMILES
C1CC(C(=O)C1C(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C11H8Cl4F8O3/c12-8(16,17)6(25,9(13,18)19)3-1-2-4(5(3)24)7(26,10(14,20)21)11(15,22)23/h3-4,25-26H,1-2H2
InChIKey
PLJLDBYXNJNTPM-UHFFFAOYSA-N
Compound name
2,5-bis(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.90997 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.91725 180.9
[M+Na]+ 502.89919 188.9
[M-H]- 478.90269 171.5
[M+NH4]+ 497.94379 190.3
[M+K]+ 518.87313 182.0
[M+H-H2O]+ 462.90723 173.9
[M+HCOO]- 524.90817 165.3
[M+CH3COO]- 538.92382 223.0
[M+Na-2H]- 500.88464 182.3
[M]+ 479.90942 170.2
[M]- 479.91052 170.2
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.