CID 695766

5h-tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C8H8N4OS
SMILES
COC1=CC=C(C=C1)N2C(=S)N=NN2
InChI
InChI=1S/C8H8N4OS/c1-13-7-4-2-6(3-5-7)12-8(14)9-10-11-12/h2-5H,1H3,(H,9,11,14)
InChIKey
UFALKIBIWOKBDL-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

262
Patents

208.04189 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 141.9
[M+Na]+ 231.03111 153.7
[M-H]- 207.03461 143.4
[M+NH4]+ 226.07571 157.6
[M+K]+ 247.00505 148.9
[M+H-H2O]+ 191.03915 134.0
[M+HCOO]- 253.04009 157.8
[M+CH3COO]- 267.05574 154.6
[M+Na-2H]- 229.01656 144.9
[M]+ 208.04134 143.7
[M]- 208.04244 143.7
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