CID 4772872

138689-79-9

Structural Information

Molecular Formula
C8H8N4S
SMILES
CSC1=CC=C(C=C1)C2=NNN=N2
InChI
InChI=1S/C8H8N4S/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey
BKSCIIVDHYXBRU-UHFFFAOYSA-N
Compound name
5-(4-methylsulfanylphenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.04697 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05425 139.0
[M+Na]+ 215.03619 152.7
[M+NH4]+ 210.08079 147.0
[M+K]+ 231.01013 146.0
[M-H]- 191.03969 140.8
[M+Na-2H]- 213.02164 146.7
[M]+ 192.04642 141.8
[M]- 192.04752 141.8
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

patents stripe