CID 23263

3,6-diphenyl-1,2,4,5-tetrazine

Structural Information

Molecular Formula
C14H10N4
SMILES
C1=CC=C(C=C1)C2=NN=C(N=N2)C3=CC=CC=C3
InChI
InChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H
InChIKey
XAUWSIIGUUMHQQ-UHFFFAOYSA-N
Compound name
3,6-diphenyl-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

242
Patents

234.09055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09783 153.1
[M+Na]+ 257.07977 162.1
[M-H]- 233.08327 157.2
[M+NH4]+ 252.12437 164.5
[M+K]+ 273.05371 155.9
[M+H-H2O]+ 217.08781 141.4
[M+HCOO]- 279.08875 173.0
[M+CH3COO]- 293.10440 164.3
[M+Na-2H]- 255.06522 163.1
[M]+ 234.09000 151.6
[M]- 234.09110 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