CID 9794697

120568-11-8

Structural Information

Molecular Formula
C14H12N4
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3
InChI
InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
InChIKey
VWOJMXKARYCRCC-UHFFFAOYSA-N
Compound name
5-[2-(4-methylphenyl)phenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

229
Patents

236.1062 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.113476 153.4
[M+Na]+ 259.095418 162.8
[M-H]- 235.098924 157.0
[M+NH4]+ 254.140023 166.4
[M+K]+ 275.069358 156.5
[M+H-H2O]+ 219.103460 142.8
[M+HCOO]- 281.104401 172.9
[M+CH3COO]- 295.120051 164.8
[M+Na-2H]- 257.080866 159.1
[M]+ 236.10565142 151.6
[M]- 236.10674858 151.6
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