CID 6335745

63589-21-9

Structural Information

Molecular Formula
C10H7N3O7S
SMILES
C1=CC2=C(C(=CC(=C2C=C1[N+](=O)[O-])S(=O)(=O)O)O)NN=O
InChI
InChI=1S/C10H7N3O7S/c14-8-4-9(21(18,19)20)7-3-5(13(16)17)1-2-6(7)10(8)11-12-15/h1-4,14H,(H,11,15)(H,18,19,20)
InChIKey
BLXIQYJPFSEJGY-UHFFFAOYSA-N
Compound name
3-hydroxy-7-nitro-4-(2-oxohydrazinyl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.00046 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.00774 155.8
[M+Na]+ 335.98968 162.8
[M-H]- 311.99318 159.5
[M+NH4]+ 331.03428 169.1
[M+K]+ 351.96362 155.9
[M+H-H2O]+ 295.99772 153.5
[M+HCOO]- 357.99866 175.5
[M+CH3COO]- 372.01431 197.5
[M+Na-2H]- 333.97513 166.4
[M]+ 312.99991 157.5
[M]- 313.00101 157.5
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.