CID 129735030

Sodium diazosalicylate

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC(=[N+]=[N-])C(C(=C1)C(=O)O)O
InChI
InChI=1S/C7H6N2O3/c8-9-5-3-1-2-4(6(5)10)7(11)12/h1-3,6,10H,(H,11,12)
InChIKey
KTAHFXXRZTYMCD-UHFFFAOYSA-N
Compound name
5-diazo-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

206
References

12
Patents

166.03784 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 130.8
[M+Na]+ 189.02706 142.4
[M+NH4]+ 184.07166 138.1
[M+K]+ 205.00100 139.8
[M-H]- 165.03056 133.3
[M+Na-2H]- 187.01251 135.9
[M]+ 166.03729 132.7
[M]- 166.03839 132.7
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