CID 5735538

Tj1w0h78ej

Structural Information

Molecular Formula
C13H11ClN2O5S2
SMILES
CO/S(=N\S(=O)(=O)C1=CC=C(C=C1)Cl)/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11ClN2O5S2/c1-21-22(12-6-4-11(5-7-12)16(17)18)15-23(19,20)13-8-2-10(14)3-9-13/h2-9H,1H3
InChIKey
GIFNUYPIOIDEGE-UHFFFAOYSA-N
Compound name
(NZ)-4-chloro-N-[methoxy-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1
Patents

373.9798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.98708 177.7
[M+Na]+ 396.96902 183.8
[M-H]- 372.97252 185.3
[M+NH4]+ 392.01362 189.8
[M+K]+ 412.94296 174.2
[M+H-H2O]+ 356.97706 175.0
[M+HCOO]- 418.97800 188.7
[M+CH3COO]- 432.99365 205.8
[M+Na-2H]- 394.95447 183.1
[M]+ 373.97925 181.4
[M]- 373.98035 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe