CID 62736062

5-(chloromethyl)-1-[(thiophen-2-yl)methyl]-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C7H7ClN4S
SMILES
C1=CSC(=C1)CN2C(=NN=N2)CCl
InChI
InChI=1S/C7H7ClN4S/c8-4-7-9-10-11-12(7)5-6-2-1-3-13-6/h1-3H,4-5H2
InChIKey
SWXHRLZTLGGYPT-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(thiophen-2-ylmethyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.008 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01528 141.7
[M+Na]+ 236.99722 155.7
[M+NH4]+ 232.04182 150.0
[M+K]+ 252.97116 150.1
[M-H]- 213.00072 143.3
[M+Na-2H]- 234.98267 149.1
[M]+ 214.00745 144.8
[M]- 214.00855 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.