CID 205575

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

Structural Information

Molecular Formula
C8H5ClN2S
SMILES
C1=CC(=CC=C1C2=CSN=N2)Cl
InChI
InChI=1S/C8H5ClN2S/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H
InChIKey
VNVRALRGBSCEPK-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

195.98619 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99347 135.8
[M+Na]+ 218.97541 147.5
[M-H]- 194.97891 140.8
[M+NH4]+ 214.02001 156.0
[M+K]+ 234.94935 142.7
[M+H-H2O]+ 178.98345 129.3
[M+HCOO]- 240.98439 150.7
[M+CH3COO]- 255.00004 150.0
[M+Na-2H]- 216.96086 139.6
[M]+ 195.98564 139.1
[M]- 195.98674 139.1
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