CID 227160

2-(n,n-bis(2-chloroethyl)amino)fluorene

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂N

SMILES

C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C17H17Cl2N/c18-7-9-20(10-8-19)15-5-6-17-14(12-15)11-13-3-1-2-4-16(13)17/h1-6,12H,7-11H2

InChIKey

WGHBMRGWDPIQCP-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-9H-fluoren-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.0738 Da
Monoisotopic Mass: 5.1
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]+	306.081076	172.0
[M+Na]+	328.063018	181.1
[M-H]-	304.066524	177.4
[M+NH4]+	323.107623	192.6
[M+K]+	344.036958	173.8
[M+H-H2O]+	288.071060	166.1
[M+HCOO]-	350.072001	186.0
[M+CH3COO]-	364.087651	183.7
[M+Na-2H]-	326.048466	175.8
[M]+	305.07325142	177.6
[M]-	305.07434858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.