CID 865914

15182-67-9

Structural Information

Molecular Formula
C8H8N4OS
SMILES
COC1=CC=CC=C1N2C(=S)N=NN2
InChI
InChI=1S/C8H8N4OS/c1-13-7-5-3-2-4-6(7)12-8(14)9-10-11-12/h2-5H,1H3,(H,9,11,14)
InChIKey
JCCAUOFIVYLQMS-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

208.04189 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.049166 141.9
[M+Na]+ 231.031108 153.7
[M-H]- 207.034614 143.4
[M+NH4]+ 226.075713 157.6
[M+K]+ 247.005048 148.9
[M+H-H2O]+ 191.039150 134.0
[M+HCOO]- 253.040091 157.8
[M+CH3COO]- 267.055741 154.6
[M+Na-2H]- 229.016556 144.9
[M]+ 208.04134142 143.7
[M]- 208.04243858 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