CID 33689

N,n-bis(2-chloroethyl)-p-butoxyaniline

Structural Information

Molecular Formula

C₁₄H₂₁Cl₂NO

SMILES

CCCCOC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C14H21Cl2NO/c1-2-3-12-18-14-6-4-13(5-7-14)17(10-8-15)11-9-16/h4-7H,2-3,8-12H2,1H3

InChIKey

FCMYHWFGMCDHDW-UHFFFAOYSA-N

Compound name

4-butoxy-N,N-bis(2-chloroethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 289.1 Da
Monoisotopic Mass: 4.6
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]+	290.10728	165.3
[M+Na]+	312.08922	178.4
[M+NH4]+	307.13382	174.1
[M+K]+	328.06316	169.1
[M-H]-	288.09272	168.4
[M+Na-2H]-	310.07467	172.0
[M]+	289.09945	168.7
[M]-	289.10055	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe