CID 2808662

5-(3,4-dichlorophenyl)-1h-tetrazole

Structural Information

Molecular Formula
C7H4Cl2N4
SMILES
C1=CC(=C(C=C1C2=NNN=N2)Cl)Cl
InChI
InChI=1S/C7H4Cl2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
SPKVZXBNWCKHGR-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
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

literature stripe

Patent stripe

patents stripe