CID 364748

Nsc631456

Structural Information

Molecular Formula
C13H11NO4S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)O)O
InChI
InChI=1S/C13H11NO4S/c15-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)19(16,17)18/h1-9,15H,(H,16,17,18)
InChIKey
JJFOVJWBNLVIBD-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe