CID 256600

6004-88-2

Structural Information

Molecular Formula

C₁₂H₁₂N₄O₃S

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NNS(=O)(=O)O

InChI

InChI=1S/C12H12N4O3S/c17-20(18,19)16-15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15-16H,(H,17,18,19)

InChIKey

TZKDKKHSIYNFRY-UHFFFAOYSA-N

Compound name

(4-phenyldiazenylanilino)sulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 292.06302 Da
Monoisotopic Mass: 2.5
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]+	293.07030	161.9
[M+Na]+	315.05224	171.6
[M+NH4]+	310.09684	168.5
[M+K]+	331.02618	164.5
[M-H]-	291.05574	166.7
[M+Na-2H]-	313.03769	170.9
[M]+	292.06247	164.8
[M]-	292.06357	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe