CID 2804459

Maybridge3_000747

Structural Information

Molecular Formula

C₁₀H₁₀FN₃O

SMILES

CN(C)C1=C(C(=C(C=C1)C=NO)F)C#N

InChI

InChI=1S/C10H10FN3O/c1-14(2)9-4-3-7(6-13-15)10(11)8(9)5-12/h3-4,6,15H,1-2H3

InChIKey

ZAJQYCSLHIXNKN-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-2-fluoro-3-(hydroxyiminomethyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 207.0808 Da
Monoisotopic Mass: 1.6
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]+	208.088076	143.9
[M+Na]+	230.070018	153.8
[M-H]-	206.073524	147.5
[M+NH4]+	225.114623	161.2
[M+K]+	246.043958	152.0
[M+H-H2O]+	190.078060	130.1
[M+HCOO]-	252.079001	165.9
[M+CH3COO]-	266.094651	206.3
[M+Na-2H]-	228.055466	148.0
[M]+	207.08025142	139.1
[M]-	207.08134858	139.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.