CID 106274

67969-93-1

Structural Information

Molecular Formula
C13H10N3O4S
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)[N+]#N
InChI
InChI=1S/C13H9N3O4S/c14-16-11-8-10(6-7-12(11)21(18,19)20)15-13(17)9-4-2-1-3-5-9/h1-8H,(H-,15,17,18,19,20)/p+1
InChIKey
VGBKIWIITRCXQJ-UHFFFAOYSA-O
Compound name
5-benzamido-2-sulfobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0392 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04648 180.1
[M+Na]+ 327.02842 189.1
[M-H]- 303.03192 186.2
[M+NH4]+ 322.07302 192.3
[M+K]+ 343.00236 180.1
[M+H-H2O]+ 287.03646 168.3
[M+HCOO]- 349.03740 195.7
[M+CH3COO]- 363.05305 206.1
[M+Na-2H]- 325.01387 185.6
[M]+ 304.03865 175.2
[M]- 304.03975 175.2
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.