CID 9588460

2-(1,3-dichloro-2-hydroxy-1,1,3,3-tetrafluoro-2-propyl)cyclopentanone oxime

Structural Information

Molecular Formula
C8H9Cl2F4NO2
SMILES
C1CC(/C(=N/O)/C1)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C8H9Cl2F4NO2/c9-7(11,12)6(16,8(10,13)14)4-2-1-3-5(4)15-17/h4,16-17H,1-3H2/b15-5+
InChIKey
AYBMVDLYSHZHSH-PJQLUOCWSA-N
Compound name
1,3-dichloro-1,1,3,3-tetrafluoro-2-[(2E)-2-hydroxyiminocyclopentyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.99466 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00194 155.4
[M+Na]+ 319.98388 163.3
[M-H]- 295.98738 152.0
[M+NH4]+ 315.02848 172.5
[M+K]+ 335.95782 157.7
[M+H-H2O]+ 279.99192 149.4
[M+HCOO]- 341.99286 159.8
[M+CH3COO]- 356.00851 195.8
[M+Na-2H]- 317.96933 158.6
[M]+ 296.99411 149.2
[M]- 296.99521 149.2
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.