CID 4141047

4-hydroxy-alpha-phenylimino-m-toluenesulfonic acid

Structural Information

Molecular Formula
C13H11NO4S
SMILES
C1=CC=C(C=C1)N=CC2=C(C=CC(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C13H11NO4S/c15-13-7-6-12(19(16,17)18)8-10(13)9-14-11-4-2-1-3-5-11/h1-9,15H,(H,16,17,18)
InChIKey
RRAFKHOGALZCAC-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(phenyliminomethyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

277.0409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.048176 158.7
[M+Na]+ 300.030118 167.2
[M-H]- 276.033624 164.8
[M+NH4]+ 295.074723 174.2
[M+K]+ 316.004058 162.4
[M+H-H2O]+ 260.038160 151.8
[M+HCOO]- 322.039101 177.6
[M+CH3COO]- 336.054751 193.2
[M+Na-2H]- 298.015566 164.1
[M]+ 277.04035142 160.8
[M]- 277.04144858 160.8
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

patents stripe