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 191.7
[M+Na]+ 375.03967 205.1
[M-H]- 351.04317 195.8
[M+NH4]+ 370.08427 202.4
[M+K]+ 391.01361 192.6
[M+H-H2O]+ 335.04771 178.6
[M+HCOO]- 397.04865 203.9
[M+CH3COO]- 411.06430 213.7
[M+Na-2H]- 373.02512 199.5
[M]+ 352.04990 190.1
[M]- 352.05100 190.1
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

No patent data available for this compound.