CID 4454576

33924-54-8

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂NO₄S

SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C16H15Cl2NO4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)

InChIKey

ISEOIHWYBXTSTC-UHFFFAOYSA-N

Compound name

4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 387.0099 Da
Monoisotopic Mass: 3.9
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]+	388.01718	186.0
[M+Na]+	409.99912	199.4
[M+NH4]+	405.04372	192.8
[M+K]+	425.97306	190.3
[M-H]-	386.00262	188.7
[M+Na-2H]-	407.98457	192.8
[M]+	387.00935	189.7
[M]-	387.01045	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe