CID 10307

Chlornaphazine

Structural Information

Molecular Formula

C₁₄H₁₅Cl₂N

SMILES

C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl

InChI

InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2

InChIKey

XCDXSSFOJZZGQC-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)naphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 12
References: 22732
Patents: 267.05817 Da
Monoisotopic Mass: 4.5
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]+	268.065446	158.2
[M+Na]+	290.047388	166.4
[M-H]-	266.050894	162.6
[M+NH4]+	285.091993	177.4
[M+K]+	306.021328	160.3
[M+H-H2O]+	250.055430	152.6
[M+HCOO]-	312.056371	172.8
[M+CH3COO]-	326.072021	201.4
[M+Na-2H]-	288.032836	164.3
[M]+	267.05762142	162.9
[M]-	267.05871858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe