CID 963036

13980-77-3

Structural Information

Molecular Formula
C8H8N4S
SMILES
CC1=CC=C(C=C1)N2C(=S)N=NN2
InChI
InChI=1S/C8H8N4S/c1-6-2-4-7(5-3-6)12-8(13)9-10-11-12/h2-5H,1H3,(H,9,11,13)
InChIKey
VBCMZLIIYLERKB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

217
Patents

192.04697 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05425 138.7
[M+Na]+ 215.03619 150.7
[M-H]- 191.03969 140.1
[M+NH4]+ 210.08079 155.1
[M+K]+ 231.01013 145.4
[M+H-H2O]+ 175.04423 130.9
[M+HCOO]- 237.04517 154.4
[M+CH3COO]- 251.06082 151.5
[M+Na-2H]- 213.02164 141.5
[M]+ 192.04642 139.1
[M]- 192.04752 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.