CID 43100164

2-methoxy-4-(propane-1-sulfonamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₅S₂

SMILES

CCCS(=O)(=O)NC1=CC(=C(C=C1)S(=O)(=O)Cl)OC

InChI

InChI=1S/C10H14ClNO5S2/c1-3-6-18(13,14)12-8-4-5-10(19(11,15)16)9(7-8)17-2/h4-5,7,12H,3,6H2,1-2H3

InChIKey

CJMPQTCVAUWJDF-UHFFFAOYSA-N

Compound name

2-methoxy-4-(propylsulfonylamino)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.00018 Da
Monoisotopic Mass: 1.8
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]+	328.007456	167.2
[M+Na]+	349.989398	175.8
[M-H]-	325.992904	171.0
[M+NH4]+	345.034003	182.3
[M+K]+	365.963338	170.2
[M+H-H2O]+	309.997440	162.1
[M+HCOO]-	371.998381	175.5
[M+CH3COO]-	386.014031	201.5
[M+Na-2H]-	347.974846	170.9
[M]+	326.99963142	174.9
[M]-	327.00072858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.