CID 2808663

5-(2,6-dichlorophenyl)-1h-tetrazole

Structural Information

Molecular Formula
C7H4Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)C2=NNN=N2)Cl
InChI
InChI=1S/C7H4Cl2N4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
RLXQNTWJPTUTCL-UHFFFAOYSA-N
Compound name
5-(2,6-dichlorophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.98131 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.988586 139.4
[M+Na]+ 236.970528 151.1
[M-H]- 212.974034 139.0
[M+NH4]+ 232.015133 154.9
[M+K]+ 252.944468 144.9
[M+H-H2O]+ 196.978570 130.6
[M+HCOO]- 258.979511 149.7
[M+CH3COO]- 272.995161 151.4
[M+Na-2H]- 234.955976 144.9
[M]+ 213.98076142 140.1
[M]- 213.98185858 140.1
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

patents stripe