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

66
Patents

228.04697 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05425 146.6
[M+Na]+ 251.03619 160.0
[M-H]- 227.03969 149.2
[M+NH4]+ 246.08079 162.6
[M+K]+ 267.01013 152.9
[M+H-H2O]+ 211.04423 138.8
[M+HCOO]- 273.04517 162.8
[M+CH3COO]- 287.06082 159.4
[M+Na-2H]- 249.02164 152.3
[M]+ 228.04642 148.6
[M]- 228.04752 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