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

22079
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

literature stripe

Patent stripe

patents stripe