CID 560735

5-(2-chlorophenyl)-1h-tetrazole

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)Cl
InChI
InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
PSUIIKIEUATWCZ-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

131
Patents

180.02028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02756 133.8
[M+Na]+ 203.00950 148.8
[M+NH4]+ 198.05410 141.8
[M+K]+ 218.98344 143.7
[M-H]- 179.01300 135.2
[M+Na-2H]- 200.99495 142.9
[M]+ 180.01973 136.5
[M]- 180.02083 136.5
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