CID 293584

101282-19-3

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)NC(=O)NCCCl

InChI

InChI=1S/C16H15ClN2O/c17-9-10-18-16(20)19-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,18,19,20)

InChIKey

MUFGJOQMOZXODB-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-(9H-fluoren-9-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 286.08728 Da
Monoisotopic Mass: 3.3
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]+	287.09456	164.4
[M+Na]+	309.07650	172.5
[M-H]-	285.08000	169.6
[M+NH4]+	304.12110	184.4
[M+K]+	325.05044	166.1
[M+H-H2O]+	269.08454	158.4
[M+HCOO]-	331.08548	184.0
[M+CH3COO]-	345.10113	176.3
[M+Na-2H]-	307.06195	170.2
[M]+	286.08673	166.7
[M]-	286.08783	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe