CID 71310181

Dtxsid00746097

Structural Information

Molecular Formula
C10H9N2O4S
SMILES
C1=CC2=C(C=CC(C2O)[N+]#N)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H8N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,8,10,13H/p+1
InChIKey
NHOUPINHQOJJBL-UHFFFAOYSA-O
Compound name
1-hydroxy-5-sulfo-1,2-dihydronaphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03558 161.6
[M+Na]+ 276.01752 172.5
[M-H]- 252.02102 165.5
[M+NH4]+ 271.06212 177.3
[M+K]+ 291.99146 163.5
[M+H-H2O]+ 236.02556 152.4
[M+HCOO]- 298.02650 174.5
[M+CH3COO]- 312.04215 195.0
[M+Na-2H]- 274.00297 168.8
[M]+ 253.02775 157.1
[M]- 253.02885 157.1
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.