CID 24846464

3-(4-bromophenyl)-2-(2-hydroxybenzoyl)-5-phenyl-2h-tetrazolium iodide

Structural Information

Molecular Formula
C20H14BrN4O2
SMILES
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C20H13BrN4O2/c21-15-10-12-16(13-11-15)24-22-19(14-6-2-1-3-7-14)23-25(24)20(27)17-8-4-5-9-18(17)26/h1-13H/p+1
InChIKey
JMGQPSYQJJTSGX-UHFFFAOYSA-O
Compound name
[3-(4-bromophenyl)-5-phenyltetrazol-3-ium-2-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.03 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.03728 192.7
[M+Na]+ 444.01922 203.5
[M-H]- 420.02272 202.5
[M+NH4]+ 439.06382 201.8
[M+K]+ 459.99316 185.2
[M+H-H2O]+ 404.02726 191.0
[M+HCOO]- 466.02820 208.4
[M+CH3COO]- 480.04385 210.2
[M+Na-2H]- 442.00467 198.3
[M]+ 421.02945 210.0
[M]- 421.03055 210.0
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

No patent data available for this compound.