CID 29120

1h-tetrazole, 5-(((m-chlorophenyl)thio)methyl)-

Structural Information

Molecular Formula
C8H7ClN4S
SMILES
C1=CC(=CC(=C1)Cl)SCC2=NNN=N2
InChI
InChI=1S/C8H7ClN4S/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey
QXHAUJZTOFQRPP-UHFFFAOYSA-N
Compound name
5-[(3-chlorophenyl)sulfanylmethyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01528 145.3
[M+Na]+ 248.99722 159.6
[M+NH4]+ 244.04182 153.4
[M+K]+ 264.97116 152.1
[M-H]- 225.00072 147.0
[M+Na-2H]- 246.98267 152.9
[M]+ 226.00745 148.4
[M]- 226.00855 148.4
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.