CID 43134788

5-(chloromethyl)-1-(2,6-dimethylphenyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C10H11ClN4
SMILES
CC1=C(C(=CC=C1)C)N2C(=NN=N2)CCl
InChI
InChI=1S/C10H11ClN4/c1-7-4-3-5-8(2)10(7)15-9(6-11)12-13-14-15/h3-5H,6H2,1-2H3
InChIKey
JQSXZNDTNJEIBA-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07451 147.4
[M+Na]+ 245.05645 159.2
[M-H]- 221.05995 149.2
[M+NH4]+ 240.10105 163.3
[M+K]+ 261.03039 154.1
[M+H-H2O]+ 205.06449 138.1
[M+HCOO]- 267.06543 163.6
[M+CH3COO]- 281.08108 160.1
[M+Na-2H]- 243.04190 151.9
[M]+ 222.06668 150.7
[M]- 222.06778 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.