CID 88940

21538-06-7

Structural Information

Molecular Formula

C₆H₃Cl₃O₆S₃

SMILES

C1=C(C=C(C=C1S(=O)(=O)Cl)S(=O)(=O)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H3Cl3O6S3/c7-16(10,11)4-1-5(17(8,12)13)3-6(2-4)18(9,14)15/h1-3H

InChIKey

HDPRVQJRZUJZPT-UHFFFAOYSA-N

Compound name

benzene-1,3,5-trisulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 371.81573 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]+	372.82301	169.5
[M+Na]+	394.80495	178.9
[M-H]-	370.80845	173.0
[M+NH4]+	389.84955	182.9
[M+K]+	410.77889	171.9
[M+H-H2O]+	354.81299	167.7
[M+HCOO]-	416.81393	162.4
[M+CH3COO]-	430.82958	200.7
[M+Na-2H]-	392.79040	173.4
[M]+	371.81518	175.0
[M]-	371.81628	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe