CID 293541

102434-00-4

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

C=CCC1=CC=CC=C1NC(=O)NCCCl

InChI

InChI=1S/C12H15ClN2O/c1-2-5-10-6-3-4-7-11(10)15-12(16)14-9-8-13/h2-4,6-7H,1,5,8-9H2,(H2,14,15,16)

InChIKey

GVPRVQMWAGIIMZ-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-(2-prop-2-enylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.0873 Da
Monoisotopic Mass: 2.0
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]+	239.094576	154.4
[M+Na]+	261.076518	160.9
[M-H]-	237.080024	157.5
[M+NH4]+	256.121123	172.4
[M+K]+	277.050458	155.9
[M+H-H2O]+	221.084560	148.5
[M+HCOO]-	283.085501	175.1
[M+CH3COO]-	297.101151	194.9
[M+Na-2H]-	259.061966	159.0
[M]+	238.08675142	155.5
[M]-	238.08784858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe