CID 372256

Nsc647311

Structural Information

Molecular Formula
C12H10N2O3S
SMILES
C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3S/c13-18(17,10-6-2-1-3-7-10)12-9-5-4-8-11(12)14(15)16/h1-9,13H
InChIKey
NHHZERQGWKPSPS-UHFFFAOYSA-N
Compound name
imino-(2-nitrophenyl)-oxo-phenyl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0412 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.048476 152.9
[M+Na]+ 285.030418 159.5
[M-H]- 261.033924 159.9
[M+NH4]+ 280.075023 168.3
[M+K]+ 301.004358 150.8
[M+H-H2O]+ 245.038460 150.1
[M+HCOO]- 307.039401 173.7
[M+CH3COO]- 321.055051 187.6
[M+Na-2H]- 283.015866 161.2
[M]+ 262.04065142 150.8
[M]- 262.04174858 150.8
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.