CID 220083

Nsc2339

Structural Information

Molecular Formula
C16H16Cl2N2OS2
SMILES
CCSC1=C(C=C(C=C1)N=[N+](C2=CC(=C(C=C2)SCC)Cl)[O-])Cl
InChI
InChI=1S/C16H16Cl2N2OS2/c1-3-22-15-7-5-11(9-13(15)17)19-20(21)12-6-8-16(23-4-2)14(18)10-12/h5-10H,3-4H2,1-2H3
InChIKey
KXSMAFVQSLXNGX-UHFFFAOYSA-N
Compound name
(3-chloro-4-ethylsulfanylphenyl)-(3-chloro-4-ethylsulfanylphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.00812 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.01540 182.1
[M+Na]+ 408.99734 188.9
[M-H]- 385.00084 188.8
[M+NH4]+ 404.04194 195.4
[M+K]+ 424.97128 176.9
[M+H-H2O]+ 369.00538 180.4
[M+HCOO]- 431.00632 188.2
[M+CH3COO]- 445.02197 214.5
[M+Na-2H]- 406.98279 182.3
[M]+ 386.00757 186.6
[M]- 386.00867 186.6
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.