CID 12205080

5-chloromethyl-1h-tetrazole

Structural Information

Molecular Formula
C2H3ClN4
SMILES
C(C1=NNN=N1)Cl
InChI
InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)
InChIKey
AGWSISOYPHROLN-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

118.00462 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.01190 117.7
[M+Na]+ 140.99384 130.2
[M+NH4]+ 136.03844 125.1
[M+K]+ 156.96778 126.5
[M-H]- 116.99734 116.3
[M+Na-2H]- 138.97929 124.0
[M]+ 118.00407 119.0
[M]- 118.00517 119.0
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

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