CID 139596395

Ns00078702

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
COC1=C(C=C(C=C1)C2=CC=CC=C2)OS(=O)(=O)N=N
InChI
InChI=1S/C13H12N2O4S/c1-18-12-8-7-11(10-5-3-2-4-6-10)9-13(12)19-20(16,17)15-14/h2-9,14H,1H3
InChIKey
UCRBAQKQMMHTPW-UHFFFAOYSA-N
Compound name
(2-methoxy-5-phenylphenyl) N-iminosulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0518 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.059076 162.0
[M+Na]+ 315.041018 170.3
[M-H]- 291.044524 170.6
[M+NH4]+ 310.085623 177.7
[M+K]+ 331.014958 167.1
[M+H-H2O]+ 275.049060 153.8
[M+HCOO]- 337.050001 184.7
[M+CH3COO]- 351.065651 203.9
[M+Na-2H]- 313.026466 168.7
[M]+ 292.05125142 167.0
[M]- 292.05234858 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.