CID 389851

Nsc686483

Structural Information

Molecular Formula
C10H5ClN4OS2
SMILES
C1=CC=C(C=C1)C2=NON=C2N=C3C(=NSS3)Cl
InChI
InChI=1S/C10H5ClN4OS2/c11-8-10(17-18-15-8)12-9-7(13-16-14-9)6-4-2-1-3-5-6/h1-5H
InChIKey
WCIRXCZEQPSVTH-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.95932 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96660 159.7
[M+Na]+ 318.94854 174.8
[M-H]- 294.95204 170.0
[M+NH4]+ 313.99314 176.2
[M+K]+ 334.92248 169.8
[M+H-H2O]+ 278.95658 153.2
[M+HCOO]- 340.95752 173.5
[M+CH3COO]- 354.97317 173.8
[M+Na-2H]- 316.93399 161.2
[M]+ 295.95877 167.7
[M]- 295.95987 167.7
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.