CID 1381993

5-(2-chloroethyl)-2h-tetrazole

Structural Information

Molecular Formula
C3H5ClN4
SMILES
C(CCl)C1=NNN=N1
InChI
InChI=1S/C3H5ClN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)
InChIKey
YZQCWPFTAAUGPS-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

98
Patents

132.02028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02756 122.4
[M+Na]+ 155.00950 132.4
[M-H]- 131.01300 119.0
[M+NH4]+ 150.05410 140.6
[M+K]+ 170.98344 129.3
[M+H-H2O]+ 115.01754 114.4
[M+HCOO]- 177.01848 137.8
[M+CH3COO]- 191.03413 166.1
[M+Na-2H]- 152.99495 129.9
[M]+ 132.01973 122.3
[M]- 132.02083 122.3
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