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

234
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.