CID 12912717

74115-15-4

Structural Information

Molecular Formula
C14H10Cl2N4
SMILES
C1=CC=C(C(=C1)C2=NNC(=NN2)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C14H10Cl2N4/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,(H,17,18)(H,19,20)
InChIKey
DMOSPPXFAKVBOQ-UHFFFAOYSA-N
Compound name
3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

7
Patents

304.02826 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03554 164.8
[M+Na]+ 327.01748 174.4
[M-H]- 303.02098 165.3
[M+NH4]+ 322.06208 173.7
[M+K]+ 342.99142 164.8
[M+H-H2O]+ 287.02552 154.2
[M+HCOO]- 349.02646 170.4
[M+CH3COO]- 363.04211 173.5
[M+Na-2H]- 325.00293 170.0
[M]+ 304.02771 162.3
[M]- 304.02881 162.3
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