CID 79930

5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole

Structural Information

Molecular Formula
C3Cl4N2S
SMILES
C1(=NSC(=N1)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C3Cl4N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKey
MARKPJMFLDWCID-UHFFFAOYSA-N
Compound name
5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

235.85362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.86090 143.7
[M+Na]+ 258.84284 154.4
[M-H]- 234.84634 142.5
[M+NH4]+ 253.88744 161.6
[M+K]+ 274.81678 150.0
[M+H-H2O]+ 218.85088 139.4
[M+HCOO]- 280.85182 140.2
[M+CH3COO]- 294.86747 184.7
[M+Na-2H]- 256.82829 144.3
[M]+ 235.85307 144.9
[M]- 235.85417 144.9
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