CID 116014

Barium bis(diphenylsulfamate)

Structural Information

Molecular Formula

C₁₂H₁₁NO₃S

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H11NO3S/c14-17(15,16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15,16)

InChIKey

PXFORDPOPVGNJL-UHFFFAOYSA-N

Compound name

diphenylsulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 624
Patents: 249.04596 Da
Monoisotopic Mass: 2.1
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]+	250.053236	151.8
[M+Na]+	272.035178	159.1
[M-H]-	248.038684	158.8
[M+NH4]+	267.079783	168.6
[M+K]+	288.009118	155.9
[M+H-H2O]+	232.043220	144.7
[M+HCOO]-	294.044161	171.2
[M+CH3COO]-	308.059811	190.5
[M+Na-2H]-	270.020626	158.2
[M]+	249.04541142	153.4
[M]-	249.04650858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe