CID 112946

1h-tetrazole, 5-(1,1'-biphenyl)-4-yl-

Structural Information

Molecular Formula
C13H10N4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NNN=N3
InChI
InChI=1S/C13H10N4/c1-2-4-10(5-3-1)11-6-8-12(9-7-11)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChIKey
CMPDXBXNGAEVNY-UHFFFAOYSA-N
Compound name
5-(4-phenylphenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

222.09055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.097826 148.2
[M+Na]+ 245.079768 157.1
[M-H]- 221.083274 151.6
[M+NH4]+ 240.124373 161.4
[M+K]+ 261.053708 151.0
[M+H-H2O]+ 205.087810 137.6
[M+HCOO]- 267.088751 168.1
[M+CH3COO]- 281.104401 159.7
[M+Na-2H]- 243.065216 155.2
[M]+ 222.09000142 145.6
[M]- 222.09109858 145.6
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