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

469
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 117.9
[M+Na]+ 140.99384 128.3
[M-H]- 116.99734 114.6
[M+NH4]+ 136.03844 136.6
[M+K]+ 156.96778 125.5
[M+H-H2O]+ 101.00188 110.1
[M+HCOO]- 163.00282 133.7
[M+CH3COO]- 177.01847 131.1
[M+Na-2H]- 138.97929 126.0
[M]+ 118.00407 117.4
[M]- 118.00517 117.4
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