CID 5183334

5-(5-chloro-2-thienyl)-1h-tetrazole

Structural Information

Molecular Formula
C5H3ClN4S
SMILES
C1=C(SC(=C1)Cl)C2=NNN=N2
InChI
InChI=1S/C5H3ClN4S/c6-4-2-1-3(11-4)5-7-9-10-8-5/h1-2H,(H,7,8,9,10)
InChIKey
YNPSRXVKAZLDJU-UHFFFAOYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

185.9767 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98398 132.0
[M+Na]+ 208.96592 145.6
[M-H]- 184.96942 134.0
[M+NH4]+ 204.01052 151.1
[M+K]+ 224.93986 141.1
[M+H-H2O]+ 168.97396 124.8
[M+HCOO]- 230.97490 145.9
[M+CH3COO]- 244.99055 146.0
[M+Na-2H]- 206.95137 134.5
[M]+ 185.97615 135.5
[M]- 185.97725 135.5
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