CID 55301045

15284-27-2

Structural Information

Molecular Formula
C3H5ClN4
SMILES
C1=NN=NN1CCCl
InChI
InChI=1S/C3H5ClN4/c4-1-2-8-3-5-6-7-8/h3H,1-2H2
InChIKey
XHUIIORNGYDUIT-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

132.02028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02756 121.6
[M+Na]+ 155.00950 132.0
[M-H]- 131.01300 119.5
[M+NH4]+ 150.05410 140.5
[M+K]+ 170.98344 129.9
[M+H-H2O]+ 115.01754 113.3
[M+HCOO]- 177.01848 138.5
[M+CH3COO]- 191.03413 168.8
[M+Na-2H]- 152.99495 129.6
[M]+ 132.01973 123.4
[M]- 132.02083 123.4
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