CID 283155

24722-66-5

Structural Information

Molecular Formula
C13H8N4O2S
SMILES
C1=CC(=CC=C1N=C=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H8N4O2S/c18-17(19)13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14-9-20/h1-8H
InChIKey
HQLMTPHMWRDLGZ-UHFFFAOYSA-N
Compound name
(4-isothiocyanatophenyl)-(4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0368 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04408 159.9
[M+Na]+ 307.02602 166.5
[M-H]- 283.02952 170.6
[M+NH4]+ 302.07062 175.8
[M+K]+ 322.99996 158.5
[M+H-H2O]+ 267.03406 154.8
[M+HCOO]- 329.03500 187.9
[M+CH3COO]- 343.05065 204.8
[M+Na-2H]- 305.01147 167.9
[M]+ 284.03625 160.6
[M]- 284.03735 160.6
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.