CID 15131

1477-41-4

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO₃

SMILES

C1=CC(=CC=C1C(C(COC(=O)N)(Cl)Cl)O)Cl

InChI

InChI=1S/C10H10Cl3NO3/c11-7-3-1-6(2-4-7)8(15)10(12,13)5-17-9(14)16/h1-4,8,15H,5H2,(H2,14,16)

InChIKey

RENLSHPSGMACFW-UHFFFAOYSA-N

Compound name

[2,2-dichloro-3-(4-chlorophenyl)-3-hydroxypropyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.97263 Da
Monoisotopic Mass: 2.2
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]+	297.979906	157.1
[M+Na]+	319.961848	165.0
[M-H]-	295.965354	157.8
[M+NH4]+	315.006453	172.7
[M+K]+	335.935788	159.7
[M+H-H2O]+	279.969890	154.4
[M+HCOO]-	341.970831	163.0
[M+CH3COO]-	355.986481	197.4
[M+Na-2H]-	317.947296	159.3
[M]+	296.97208142	159.5
[M]-	296.97317858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.