CID 2731701

14331-22-7

Structural Information

Molecular Formula
C11H8N4S
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=S)N=NN3
InChI
InChI=1S/C11H8N4S/c16-11-12-13-14-15(11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,14,16)
InChIKey
QUFRGNOIJAGRFY-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

228.04697 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.054246 146.6
[M+Na]+ 251.036188 160.0
[M-H]- 227.039694 149.2
[M+NH4]+ 246.080793 162.6
[M+K]+ 267.010128 152.9
[M+H-H2O]+ 211.044230 138.8
[M+HCOO]- 273.045171 162.8
[M+CH3COO]- 287.060821 159.4
[M+Na-2H]- 249.021636 152.3
[M]+ 228.04642142 148.6
[M]- 228.04751858 148.6
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