CID 847410

1-naphthalen-2-yl-1h-tetrazole-5-thiol

Structural Information

Molecular Formula
C11H8N4S
SMILES
C1=CC=C2C=C(C=CC2=C1)N3C(=S)N=NN3
InChI
InChI=1S/C11H8N4S/c16-11-12-13-14-15(11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,14,16)
InChIKey
JVUHNRBYOXLUKL-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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

No literature data available for this compound.

Patent stripe

patents stripe