CID 293506

100388-37-2

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

C1CC2=CC=CC=C2C1NC(=O)NCCCl

InChI

InChI=1S/C12H15ClN2O/c13-7-8-14-12(16)15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H2,14,15,16)

InChIKey

PIYKOGHGUHCXDC-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 238.0873 Da
Monoisotopic Mass: 2.4
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]+	239.094576	153.6
[M+Na]+	261.076518	160.1
[M-H]-	237.080024	157.5
[M+NH4]+	256.121123	174.4
[M+K]+	277.050458	155.4
[M+H-H2O]+	221.084560	148.0
[M+HCOO]-	283.085501	173.2
[M+CH3COO]-	297.101151	193.4
[M+Na-2H]-	259.061966	158.2
[M]+	238.08675142	153.6
[M]-	238.08784858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe