CID 690730

86-93-1

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CC=C(C=C1)N2C(=S)N=NN2
InChI
InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChIKey
GGZHVNZHFYCSEV-UHFFFAOYSA-N
Compound name
1-phenyl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

27339
Patents

178.03131 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.038586 133.9
[M+Na]+ 201.020528 145.6
[M-H]- 177.024034 135.2
[M+NH4]+ 196.065133 150.6
[M+K]+ 216.994468 140.5
[M+H-H2O]+ 161.028570 126.1
[M+HCOO]- 223.029511 150.0
[M+CH3COO]- 237.045161 146.9
[M+Na-2H]- 199.005976 138.0
[M]+ 178.03076142 133.6
[M]- 178.03185858 133.6
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