CID 106326

67990-32-3

Structural Information

Molecular Formula

C₁₃H₄Br₆O₃

SMILES

C1=C(C=C(C(=C1Br)OC(=O)OC2=C(C=C(C=C2Br)Br)Br)Br)Br

InChI

InChI=1S/C13H4Br6O3/c14-5-1-7(16)11(8(17)2-5)21-13(20)22-12-9(18)3-6(15)4-10(12)19/h1-4H

InChIKey

KYCZCJACRVPWFK-UHFFFAOYSA-N

Compound name

bis(2,4,6-tribromophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 681.52606 Da
Monoisotopic Mass: 7.8
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]+	682.53334	182.8
[M+Na]+	704.51528	191.9
[M-H]-	680.51878	186.7
[M+NH4]+	699.55988	188.2
[M+K]+	720.48922	181.7
[M+H-H2O]+	664.52332	196.7
[M+HCOO]-	726.52426	185.3
[M+CH3COO]-	740.53991	251.9
[M+Na-2H]-	702.50073	180.7
[M]+	681.52551	204.0
[M]-	681.52661	204.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe