CID 462904

Nsc107159

Structural Information

Molecular Formula

C₁₃H₈FN₃O₃S

SMILES

C1=CC(=CC=C1C(=O)N=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H8FN3O3S/c14-10-3-7-12(8-4-10)21(19,20)11-5-1-9(2-6-11)13(18)16-17-15/h1-8H

InChIKey

IHZJKEIOAFJMQF-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)sulfonylbenzoyl azide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 305.02704 Da
Monoisotopic Mass: 3.6
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]+	306.03432	163.0
[M+Na]+	328.01626	170.5
[M-H]-	304.01976	171.3
[M+NH4]+	323.06086	177.8
[M+K]+	343.99020	161.5
[M+H-H2O]+	288.02430	158.1
[M+HCOO]-	350.02524	186.4
[M+CH3COO]-	364.04089	201.3
[M+Na-2H]-	326.00171	170.7
[M]+	305.02649	161.6
[M]-	305.02759	161.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.