CID 11483196

Schembl7562711

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₄S

SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)N=NS(=O)(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-19-13-8-7-11(10-5-3-2-4-6-10)9-12(13)14-15-20(16,17)18/h2-9H,1H3,(H,16,17,18)

InChIKey

YOAQFEJZOIMUFQ-UHFFFAOYSA-N

Compound name

(2-methoxy-5-phenylphenyl)iminosulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 292.0518 Da
Monoisotopic Mass: 2.8
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]+	293.059076	162.3
[M+Na]+	315.041018	170.6
[M-H]-	291.044524	170.9
[M+NH4]+	310.085623	178.0
[M+K]+	331.014958	167.5
[M+H-H2O]+	275.049060	154.1
[M+HCOO]-	337.050001	185.0
[M+CH3COO]-	351.065651	203.2
[M+Na-2H]-	313.026466	168.9
[M]+	292.05125142	167.2
[M]-	292.05234858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe