CID 6451735

Ns00120338

Structural Information

Molecular Formula

C₇H₅Cl₄NO₂S

SMILES

CS(=O)(=O)N(C1=CC(=C(C=C1Cl)Cl)Cl)Cl

InChI

InChI=1S/C7H5Cl4NO2S/c1-15(13,14)12(11)7-3-5(9)4(8)2-6(7)10/h2-3H,1H3

InChIKey

BCUZNCIUNPEYQO-UHFFFAOYSA-N

Compound name

N-chloro-N-(2,4,5-trichlorophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.87952 Da
Monoisotopic Mass: 3.6
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]+	307.886796	155.3
[M+Na]+	329.868738	165.8
[M-H]-	305.872244	158.7
[M+NH4]+	324.913343	172.4
[M+K]+	345.842678	161.0
[M+H-H2O]+	289.876780	153.5
[M+HCOO]-	351.877721	155.4
[M+CH3COO]-	365.893371	202.8
[M+Na-2H]-	327.854186	156.1
[M]+	306.87897142	160.6
[M]-	306.88006858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.