CID 415840

4-hydroxy-3-nitroso-2,7-naphthalenedisulfonic acid

Structural Information

Molecular Formula
C10H7NO8S2
SMILES
C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N=O)O
InChI
InChI=1S/C10H7NO8S2/c12-10-7-2-1-6(20(14,15)16)3-5(7)4-8(9(10)11-13)21(17,18)19/h1-4,12H,(H,14,15,16)(H,17,18,19)
InChIKey
OBKBNPNOIBVYQY-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitrosonaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

332.9613 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.96858 164.9
[M+Na]+ 355.95052 173.7
[M-H]- 331.95402 166.6
[M+NH4]+ 350.99512 177.9
[M+K]+ 371.92446 169.5
[M+H-H2O]+ 315.95856 159.4
[M+HCOO]- 377.95950 175.0
[M+CH3COO]- 391.97515 200.1
[M+Na-2H]- 353.93597 172.5
[M]+ 332.96075 170.7
[M]- 332.96185 170.7
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