CID 9588459

2-(1-chloro-2-hydroxy-1,1,3,3,3-pentafluoro-2-propyl)cyclopentanone oxime

Structural Information

Molecular Formula
C8H9ClF5NO2
SMILES
C1CC(/C(=N/O)/C1)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C8H9ClF5NO2/c9-7(10,11)6(16,8(12,13)14)4-2-1-3-5(4)15-17/h4,16-17H,1-3H2/b15-5+
InChIKey
UIXUGMANNWFFKJ-PJQLUOCWSA-N
Compound name
1-chloro-1,1,3,3,3-pentafluoro-2-[(2E)-2-hydroxyiminocyclopentyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0242 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03148 151.7
[M+Na]+ 304.01342 159.4
[M-H]- 280.01692 147.5
[M+NH4]+ 299.05802 169.1
[M+K]+ 319.98736 155.1
[M+H-H2O]+ 264.02146 144.3
[M+HCOO]- 326.02240 160.0
[M+CH3COO]- 340.03805 193.5
[M+Na-2H]- 301.99887 155.2
[M]+ 281.02365 143.0
[M]- 281.02475 143.0
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.