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]+ 223.074506 147.4
[M+Na]+ 245.056448 159.2
[M-H]- 221.059954 149.2
[M+NH4]+ 240.101053 163.3
[M+K]+ 261.030388 154.1
[M+H-H2O]+ 205.064490 138.1
[M+HCOO]- 267.065431 163.6
[M+CH3COO]- 281.081081 160.1
[M+Na-2H]- 243.041896 151.9
[M]+ 222.06668142 150.7
[M]- 222.06777858 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.