CID 13673377

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

Structural Information

Molecular Formula
C2Cl2N4
SMILES
C1(=NN=C(N=N1)Cl)Cl
InChI
InChI=1S/C2Cl2N4/c3-1-5-7-2(4)8-6-1
InChIKey
HXXFMIAFWKZHDY-UHFFFAOYSA-N
Compound name
3,6-dichloro-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

149.95 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.95728 119.6
[M+Na]+ 172.93922 131.6
[M-H]- 148.94272 117.2
[M+NH4]+ 167.98382 136.6
[M+K]+ 188.91316 127.9
[M+H-H2O]+ 132.94726 112.2
[M+HCOO]- 194.94820 130.8
[M+CH3COO]- 208.96385 132.8
[M+Na-2H]- 170.92467 129.5
[M]+ 149.94945 121.4
[M]- 149.95055 121.4
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