CID 34607

N,n-bis(2-iodoethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₃I₂N

SMILES

C1=CC=C(C=C1)N(CCI)CCI

InChI

InChI=1S/C10H13I2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

JQLBXLQMDUHDGG-UHFFFAOYSA-N

Compound name

N,N-bis(2-iodoethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 400.91373 Da
Monoisotopic Mass: 4.3
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]+	401.92101	155.7
[M+Na]+	423.90295	151.6
[M+NH4]+	418.94755	155.5
[M+K]+	439.87689	152.0
[M-H]-	399.90645	146.9
[M+Na-2H]-	421.88840	141.5
[M]+	400.91318	150.7
[M]-	400.91428	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe