CID 84262

5-chloro-1-phenyl-1h-tetrazole

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)Cl
InChI
InChI=1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKey
DHELIGKVOGTMGF-UHFFFAOYSA-N
Compound name
5-chloro-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

720
Patents

180.02028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02756 133.3
[M+Na]+ 203.00950 148.8
[M+NH4]+ 198.05410 141.6
[M+K]+ 218.98344 143.4
[M-H]- 179.01300 135.2
[M+Na-2H]- 200.99495 142.9
[M]+ 180.01973 136.3
[M]- 180.02083 136.3
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

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