CID 3610228

5-(2,4-dichlorophenyl)-2h-tetrazole

Structural Information

Molecular Formula
C7H4Cl2N4
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NNN=N2
InChI
InChI=1S/C7H4Cl2N4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
DPHDYJRNGBXYQG-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.98131 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98859 139.4
[M+Na]+ 236.97053 151.1
[M-H]- 212.97403 139.0
[M+NH4]+ 232.01513 154.9
[M+K]+ 252.94447 144.9
[M+H-H2O]+ 196.97857 130.6
[M+HCOO]- 258.97951 149.7
[M+CH3COO]- 272.99516 151.4
[M+Na-2H]- 234.95598 144.9
[M]+ 213.98076 140.1
[M]- 213.98186 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