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 140.5
[M+Na]+ 236.99722 153.6
[M-H]- 213.00072 143.5
[M+NH4]+ 232.04182 159.2
[M+K]+ 252.97116 149.6
[M+H-H2O]+ 197.00526 132.5
[M+HCOO]- 259.00620 155.3
[M+CH3COO]- 273.02185 154.3
[M+Na-2H]- 234.98267 142.4
[M]+ 214.00745 146.5
[M]- 214.00855 146.5
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

No patent data available for this compound.