CID 75842

2643-07-4

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CCN(CCCl)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3

InChIKey

MFUFJCIFNHFEDW-UHFFFAOYSA-N

Compound name

4-[2-chloroethyl(ethyl)amino]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 211.07639 Da
Monoisotopic Mass: 2.5
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]+	212.08367	145.4
[M+Na]+	234.06561	153.3
[M-H]-	210.06911	150.2
[M+NH4]+	229.11021	165.6
[M+K]+	250.03955	150.0
[M+H-H2O]+	194.07365	139.8
[M+HCOO]-	256.07459	166.7
[M+CH3COO]-	270.09024	191.8
[M+Na-2H]-	232.05106	150.8
[M]+	211.07584	149.7
[M]-	211.07694	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe