CID 30941

Benzenamine, n,n-bis(2-chloroethyl)-4-fluoro-

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂FN

SMILES

C1=CC(=CC=C1N(CCCl)CCCl)F

InChI

InChI=1S/C10H12Cl2FN/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8H2

InChIKey

WHBKJPHTKQXBNJ-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-4-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 235.03308 Da
Monoisotopic Mass: 3.0
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]+	236.04036	144.9
[M+Na]+	258.02230	158.1
[M+NH4]+	253.06690	154.1
[M+K]+	273.99624	149.7
[M-H]-	234.02580	147.1
[M+Na-2H]-	256.00775	152.5
[M]+	235.03253	148.0
[M]-	235.03363	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe