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 129.6
[M+Na]+ 189.02706 136.8
[M-H]- 165.03056 132.3
[M+NH4]+ 184.07166 148.5
[M+K]+ 205.00100 130.0
[M+H-H2O]+ 149.03510 128.9
[M+HCOO]- 211.03604 154.6
[M+CH3COO]- 225.05169 170.4
[M+Na-2H]- 187.01251 137.2
[M]+ 166.03729 124.1
[M]- 166.03839 124.1
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

patents stripe