CID 9603564

Valeraldehyde-o-pentafluorophenylmethyl-oxime

Structural Information

Molecular Formula

C₁₂H₁₂F₅NO

SMILES

CCCC/C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C12H12F5NO/c1-2-3-4-5-18-19-6-7-8(13)10(15)12(17)11(16)9(7)14/h5H,2-4,6H2,1H3/b18-5+

InChIKey

CQVUQQBKUBLHIZ-BLLMUTORSA-N

Compound name

(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]pentan-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.0839 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.091176	155.9
[M+Na]+	304.073118	166.7
[M-H]-	280.076624	155.0
[M+NH4]+	299.117723	173.2
[M+K]+	320.047058	162.7
[M+H-H2O]+	264.081160	145.1
[M+HCOO]-	326.082101	176.8
[M+CH3COO]-	340.097751	208.1
[M+Na-2H]-	302.058566	156.6
[M]+	281.08335142	154.5
[M]-	281.08444858	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe