CID 3066027

Ur 88

Structural Information

Molecular Formula

C₁₄H₁₀ClN₃O₂

SMILES

C1=CC=C(C=C1)N2C(=O)NC(=O)N2C3=CC=CC=C3Cl

InChI

InChI=1S/C14H10ClN3O2/c15-11-8-4-5-9-12(11)18-14(20)16-13(19)17(18)10-6-2-1-3-7-10/h1-9H,(H,16,19,20)

InChIKey

QKKZCWVTUWUULQ-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2-phenyl-1,2,4-triazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 287.04614 Da
Monoisotopic Mass: 3.1
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]+	288.053416	161.5
[M+Na]+	310.035358	173.6
[M-H]-	286.038864	167.0
[M+NH4]+	305.079963	175.0
[M+K]+	326.009298	166.1
[M+H-H2O]+	270.043400	152.1
[M+HCOO]-	332.044341	178.3
[M+CH3COO]-	346.059991	173.6
[M+Na-2H]-	308.020806	165.0
[M]+	287.04559142	163.3
[M]-	287.04668858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe