CID 6367258

4-(5-sulfo-2h-naphtho(1,2-d)triazol-2-yl)-benzenediazonium, hydroxide, inner salt

Structural Information

Molecular Formula
C16H10N5O3S
SMILES
C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC=C(C=C4)[N+]#N)S(=O)(=O)O
InChI
InChI=1S/C16H9N5O3S/c17-18-10-5-7-11(8-6-10)21-19-14-9-15(25(22,23)24)12-3-1-2-4-13(12)16(14)20-21/h1-9H/p+1
InChIKey
UGDJFOWIOGZLGX-UHFFFAOYSA-O
Compound name
4-(5-sulfobenzo[e]benzotriazol-2-yl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.05045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05773 174.8
[M+Na]+ 375.03967 190.6
[M+NH4]+ 370.08427 179.3
[M+K]+ 391.01361 181.8
[M-H]- 351.04317 171.9
[M+Na-2H]- 373.02512 180.6
[M]+ 352.04990 176.2
[M]- 352.05100 176.2
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.