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 152.9
[M+Na]+ 270.05592 161.2
[M-H]- 246.05942 160.1
[M+NH4]+ 265.10052 170.4
[M+K]+ 286.02986 156.7
[M+H-H2O]+ 230.06396 145.9
[M+HCOO]- 292.06490 172.8
[M+CH3COO]- 306.08055 191.0
[M+Na-2H]- 268.04137 158.9
[M]+ 247.06615 154.3
[M]- 247.06725 154.3
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.