CID 16205262

1-naphthalenediazonium, 4-(phenylazo)-6-sulfo-, sulfate (1:1)

Structural Information

Molecular Formula
C16H11N4O3S
SMILES
C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)[N+]#N)S(=O)(=O)O
InChI
InChI=1S/C16H10N4O3S/c17-18-15-8-9-16(20-19-11-4-2-1-3-5-11)14-10-12(24(21,22)23)6-7-13(14)15/h1-10H/p+1
InChIKey
XCKUWYWAOZROQG-UHFFFAOYSA-O
Compound name
4-phenyldiazenyl-6-sulfonaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.05518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06246 190.3
[M+Na]+ 362.04440 200.8
[M-H]- 338.04790 199.0
[M+NH4]+ 357.08900 203.1
[M+K]+ 378.01834 190.2
[M+H-H2O]+ 322.05244 177.5
[M+HCOO]- 384.05338 208.8
[M+CH3COO]- 398.06903 219.6
[M+Na-2H]- 360.02985 198.9
[M]+ 339.05463 187.5
[M]- 339.05573 187.5
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.