CID 91660

Dabsyl chloride

Structural Information

Molecular Formula

C₁₄H₁₄ClN₃O₂S

SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3

InChIKey

VTVWTPGLLAELLI-UHFFFAOYSA-N

Compound name

4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 82
References: 1105
Patents: 323.04953 Da
Monoisotopic Mass: 4.6
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]+	324.05681	172.0
[M+Na]+	346.03875	180.7
[M-H]-	322.04225	183.2
[M+NH4]+	341.08335	188.6
[M+K]+	362.01269	176.7
[M+H-H2O]+	306.04679	164.0
[M+HCOO]-	368.04773	192.3
[M+CH3COO]-	382.06338	216.3
[M+Na-2H]-	344.02420	177.5
[M]+	323.04898	179.1
[M]-	323.05008	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe