CID 20509830

5-chloro-1-methyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C2H3ClN4
SMILES
CN1C(=NN=N1)Cl
InChI
InChI=1S/C2H3ClN4/c1-7-2(3)4-5-6-7/h1H3
InChIKey
DZHZPUBHGIUESP-UHFFFAOYSA-N
Compound name
5-chloro-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

118.00462 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.011896 117.2
[M+Na]+ 140.993838 129.1
[M-H]- 116.997344 115.7
[M+NH4]+ 136.038443 137.0
[M+K]+ 156.967778 127.1
[M+H-H2O]+ 101.001880 109.6
[M+HCOO]- 163.002821 134.5
[M+CH3COO]- 177.018471 166.8
[M+Na-2H]- 138.979286 125.1
[M]+ 118.00407142 119.0
[M]- 118.00516858 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

patents stripe