CID 3020099

84712-97-0

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₃S

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CS(=O)(=O)CCO

InChI

InChI=1S/C15H16N2O3S/c18-10-11-21(19,20)12-13-6-8-15(9-7-13)17-16-14-4-2-1-3-5-14/h1-9,18H,10-12H2

InChIKey

SPHUPSSBTALAES-UHFFFAOYSA-N

Compound name

2-[(4-phenyldiazenylphenyl)methylsulfonyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 304.08817 Da
Monoisotopic Mass: 2.2
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]+	305.095446	167.9
[M+Na]+	327.077388	174.8
[M-H]-	303.080894	175.8
[M+NH4]+	322.121993	183.0
[M+K]+	343.051328	170.5
[M+H-H2O]+	287.085430	159.4
[M+HCOO]-	349.086371	189.8
[M+CH3COO]-	363.102021	205.8
[M+Na-2H]-	325.062836	174.1
[M]+	304.08762142	171.7
[M]-	304.08871858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe