CID 483862

4-chloro-n-(8-quinolyl)dithiazol-5-imine

Structural Information

Molecular Formula
C11H6ClN3S2
SMILES
C1=CC2=C(C(=C1)N=C3C(=NSS3)Cl)N=CC=C2
InChI
InChI=1S/C11H6ClN3S2/c12-10-11(16-17-15-10)14-8-5-1-3-7-4-2-6-13-9(7)8/h1-6H
InChIKey
IGKDQHQPHHLRRN-UHFFFAOYSA-N
Compound name
4-chloro-N-quinolin-8-yldithiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.96918 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.97646 153.8
[M+Na]+ 301.95840 168.1
[M-H]- 277.96190 161.5
[M+NH4]+ 297.00300 172.9
[M+K]+ 317.93234 160.9
[M+H-H2O]+ 261.96644 147.7
[M+HCOO]- 323.96738 166.5
[M+CH3COO]- 337.98303 167.6
[M+Na-2H]- 299.94385 158.7
[M]+ 278.96863 160.5
[M]- 278.96973 160.5
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.