CID 9572857

O-formylbenzenesulfonic acid (5-nitro-2-pyridyl)hydrazone monosodium salt

Structural Information

Molecular Formula
C12H10N4O5S
SMILES
C1=CC=C(C(=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
InChI
InChI=1S/C12H10N4O5S/c17-16(18)10-5-6-12(13-8-10)15-14-7-9-3-1-2-4-11(9)22(19,20)21/h1-8H,(H,13,15)(H,19,20,21)/b14-7+
InChIKey
BHABYISZMMALPA-VGOFMYFVSA-N
Compound name
2-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04448 164.7
[M+Na]+ 345.02642 170.6
[M-H]- 321.02992 170.4
[M+NH4]+ 340.07102 175.8
[M+K]+ 361.00036 162.2
[M+H-H2O]+ 305.03446 160.3
[M+HCOO]- 367.03540 185.5
[M+CH3COO]- 381.05105 199.1
[M+Na-2H]- 343.01187 174.3
[M]+ 322.03665 164.2
[M]- 322.03775 164.2
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.