CID 12512833

16325-38-5

Structural Information

Molecular Formula

C₁₀H₄Cl₄N₂O₂

SMILES

C(C1=C(C(=C(C(=C1Cl)Cl)CN=C=O)Cl)Cl)N=C=O

InChI

InChI=1S/C10H4Cl4N2O2/c11-7-5(1-15-3-17)8(12)10(14)6(9(7)13)2-16-4-18/h1-2H2

InChIKey

UXIKMAOGSBQRNJ-UHFFFAOYSA-N

Compound name

1,2,4,5-tetrachloro-3,6-bis(isocyanatomethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 247
Patents: 323.90268 Da
Monoisotopic Mass: 5.9
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]+	324.90996	164.9
[M+Na]+	346.89190	179.0
[M+NH4]+	341.93650	171.9
[M+K]+	362.86584	170.2
[M-H]-	322.89540	166.6
[M+Na-2H]-	344.87735	170.4
[M]+	323.90213	168.3
[M]-	323.90323	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe