CID 46937129

(1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine

Structural Information

Molecular Formula

C₁₁H₁₂FN

SMILES

C=C(CCC1=CC=C(C=C1)F)C=N

InChI

InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2

InChIKey

CFVUPEQWSFCCFT-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-2-methylidenebutan-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.09538 Da
Monoisotopic Mass: 2.7
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]+	178.10266	137.2
[M+Na]+	200.08460	144.2
[M-H]-	176.08810	139.4
[M+NH4]+	195.12920	157.1
[M+K]+	216.05854	140.6
[M+H-H2O]+	160.09264	130.4
[M+HCOO]-	222.09358	160.4
[M+CH3COO]-	236.10923	185.1
[M+Na-2H]-	198.07005	142.1
[M]+	177.09483	134.2
[M]-	177.09593	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe