CID 9570967

Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime

Structural Information

Molecular Formula
C10H15F6NO2
SMILES
CCCCCC(/C=N/O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H15F6NO2/c1-2-3-4-5-7(6-17-19)8(18,9(11,12)13)10(14,15)16/h6-7,18-19H,2-5H2,1H3/b17-6+
InChIKey
WNWKQYWIGDCGGE-UBKPWBPPSA-N
Compound name
1,1,1-trifluoro-3-[(E)-hydroxyiminomethyl]-2-(trifluoromethyl)octan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1007 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10798 160.8
[M+Na]+ 318.08992 166.8
[M-H]- 294.09342 151.8
[M+NH4]+ 313.13452 175.0
[M+K]+ 334.06386 164.3
[M+H-H2O]+ 278.09796 151.5
[M+HCOO]- 340.09890 171.4
[M+CH3COO]- 354.11455 201.5
[M+Na-2H]- 316.07537 163.3
[M]+ 295.10015 152.5
[M]- 295.10125 152.5
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.