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

14
Patents

277.0409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04818 158.7
[M+Na]+ 300.03012 167.2
[M-H]- 276.03362 164.8
[M+NH4]+ 295.07472 174.2
[M+K]+ 316.00406 162.4
[M+H-H2O]+ 260.03816 151.8
[M+HCOO]- 322.03910 177.6
[M+CH3COO]- 336.05475 193.2
[M+Na-2H]- 298.01557 164.1
[M]+ 277.04035 160.8
[M]- 277.04145 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