CID 45791475

5-(2-chloroethyl)-1-phenyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H9ClN4
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)CCCl
InChI
InChI=1S/C9H9ClN4/c10-7-6-9-11-12-13-14(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
LQGMOBKRYYBVQB-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

208.05157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05885 142.3
[M+Na]+ 231.04079 157.5
[M+NH4]+ 226.08539 150.3
[M+K]+ 247.01473 151.6
[M-H]- 207.04429 144.2
[M+Na-2H]- 229.02624 151.4
[M]+ 208.05102 145.3
[M]- 208.05212 145.3
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.

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No patent data available for this compound.