CID 3000749

Schembl6278254

Structural Information

Molecular Formula
C7H4Cl2N4S
SMILES
C1=CC(=C(C=C1Cl)N2C(=S)N=NN2)Cl
InChI
InChI=1S/C7H4Cl2N4S/c8-4-1-2-5(9)6(3-4)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)
InChIKey
ZAVNFRADPKHBMZ-UHFFFAOYSA-N
Compound name
1-(2,5-dichlorophenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.95337 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96065 145.4
[M+Na]+ 268.94259 158.9
[M-H]- 244.94609 146.3
[M+NH4]+ 263.98719 160.9
[M+K]+ 284.91653 151.7
[M+H-H2O]+ 228.95063 138.3
[M+HCOO]- 290.95157 151.2
[M+CH3COO]- 304.96722 157.5
[M+Na-2H]- 266.92804 146.7
[M]+ 245.95282 147.9
[M]- 245.95392 147.9
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.