CID 10673

Nitroso-r salt free acid

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

7
References

483
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

literature stripe

Patent stripe

patents stripe