CID 135583305

Einecs 263-341-6

Structural Information

Molecular Formula
C13H10N2O7S
SMILES
C1=CC=C(C(=C1)C=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)O)O
InChI
InChI=1S/C13H10N2O7S/c16-11-4-2-1-3-8(11)7-14-10-5-9(15(18)19)6-12(13(10)17)23(20,21)22/h1-7,16-17H,(H,20,21,22)
InChIKey
JJRXZSDRNHMASN-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[(2-hydroxyphenyl)methylideneamino]-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

338.02087 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02815 168.1
[M+Na]+ 361.01009 174.5
[M-H]- 337.01359 172.8
[M+NH4]+ 356.05469 179.0
[M+K]+ 376.98403 166.0
[M+H-H2O]+ 321.01813 165.0
[M+HCOO]- 383.01907 186.1
[M+CH3COO]- 397.03472 196.5
[M+Na-2H]- 358.99554 174.8
[M]+ 338.02032 168.3
[M]- 338.02142 168.3
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

patents stripe