CID 170642

42372-33-8

Structural Information

Molecular Formula
C13H13N2O5S
SMILES
COCCOS(=O)(=O)C1=CC=CC2=C1C=CC(=C2O)[N+]#N
InChI
InChI=1S/C13H12N2O5S/c1-19-7-8-20-21(17,18)12-4-2-3-10-9(12)5-6-11(15-14)13(10)16/h2-6H,7-8H2,1H3/p+1
InChIKey
WUZMSQZOWVFNTO-UHFFFAOYSA-O
Compound name
1-hydroxy-5-(2-methoxyethoxysulfonyl)naphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.0545 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06178 175.5
[M+Na]+ 332.04372 186.0
[M-H]- 308.04722 180.2
[M+NH4]+ 327.08832 189.6
[M+K]+ 348.01766 177.7
[M+H-H2O]+ 292.05176 165.0
[M+HCOO]- 354.05270 190.1
[M+CH3COO]- 368.06835 206.9
[M+Na-2H]- 330.02917 182.7
[M]+ 309.05395 175.8
[M]- 309.05505 175.8
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.