CID 13318775

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

Structural Information

Molecular Formula
C8H4Cl2N2S
SMILES
C1=CC(=CC=C1C2=NN=C(S2)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H
InChIKey
UVTBFAQZJPMCIT-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.94722 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95450 142.1
[M+Na]+ 252.93644 154.7
[M-H]- 228.93994 146.7
[M+NH4]+ 247.98104 161.5
[M+K]+ 268.91038 148.8
[M+H-H2O]+ 212.94448 136.1
[M+HCOO]- 274.94542 151.7
[M+CH3COO]- 288.96107 155.7
[M+Na-2H]- 250.92189 144.4
[M]+ 229.94667 146.6
[M]- 229.94777 146.6
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

patents stripe