CID 6232

Einecs 200-684-2

Structural Information

Molecular Formula
C13H13NO2S
SMILES
CC1=CC=C(C=C1)S(=NC2=CC=CC=C2)(=O)O
InChI
InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10H,1H3,(H,14,15,16)
InChIKey
YDKQMFIFPNBOAT-UHFFFAOYSA-N
Compound name
4-methyl-N-phenylbenzenesulfonimidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 153.6
[M+Na]+ 270.05592 167.1
[M+NH4]+ 265.10052 162.3
[M+K]+ 286.02986 158.1
[M-H]- 246.05942 158.1
[M+Na-2H]- 268.04137 163.1
[M]+ 247.06615 157.4
[M]- 247.06725 157.4
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.