CID 191102

Bansyl chloride

Structural Information

Molecular Formula

C₁₈H₂₄ClNO₂S

SMILES

CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C18H24ClNO2S/c1-3-5-13-20(14-6-4-2)17-11-7-10-16-15(17)9-8-12-18(16)23(19,21)22/h7-12H,3-6,13-14H2,1-2H3

InChIKey

PIZHBGYIKYGXBV-UHFFFAOYSA-N

Compound name

5-(dibutylamino)naphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 353.12164 Da
Monoisotopic Mass: 6.0
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]+	354.12892	182.7
[M+Na]+	376.11086	195.4
[M+NH4]+	371.15546	191.0
[M+K]+	392.08480	185.0
[M-H]-	352.11436	185.6
[M+Na-2H]-	374.09631	188.4
[M]+	353.12109	186.2
[M]-	353.12219	186.2

Literature stripe

literature stripe

Patent stripe

patents stripe