CID 73670

Clofentezine

Structural Information

Molecular Formula
C14H8Cl2N4
SMILES
C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKey
UXADOQPNKNTIHB-UHFFFAOYSA-N
Compound name
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

28
References

23297
Patents

302.0126 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01988 163.7
[M+Na]+ 325.00182 175.1
[M-H]- 301.00532 167.0
[M+NH4]+ 320.04642 174.0
[M+K]+ 340.97576 166.9
[M+H-H2O]+ 285.00986 152.1
[M+HCOO]- 347.01080 173.4
[M+CH3COO]- 361.02645 174.1
[M+Na-2H]- 322.98727 170.6
[M]+ 302.01205 166.0
[M]- 302.01315 166.0
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.