CID 11801

Dansyl chloride

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂S

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3

InChIKey

XPDXVDYUQZHFPV-UHFFFAOYSA-N

Compound name

5-(dimethylamino)naphthalene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 973
References: 80484
Patents: 269.02774 Da
Monoisotopic Mass: 3.5
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]+	270.03502	154.3
[M+Na]+	292.01696	164.5
[M-H]-	268.02046	160.9
[M+NH4]+	287.06156	173.9
[M+K]+	307.99090	160.2
[M+H-H2O]+	252.02500	149.2
[M+HCOO]-	314.02594	168.7
[M+CH3COO]-	328.04159	198.7
[M+Na-2H]-	290.00241	160.1
[M]+	269.02719	160.7
[M]-	269.02829	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe