CID 2735973

51449-78-6

Structural Information

Molecular Formula
C8H6Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NNN=N2)Cl
InChI
InChI=1S/C8H6Cl2N4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKey
NDMAQUNWOYUOGS-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

227.99695 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00423 143.9
[M+Na]+ 250.98617 155.1
[M-H]- 226.98967 143.3
[M+NH4]+ 246.03077 158.7
[M+K]+ 266.96011 148.6
[M+H-H2O]+ 210.99421 134.8
[M+HCOO]- 272.99515 153.8
[M+CH3COO]- 287.01080 155.4
[M+Na-2H]- 248.97162 148.8
[M]+ 227.99640 144.9
[M]- 227.99750 144.9
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