CID 302231

6-chloro-[1,2,3,4]tetrazolo[1,5-b]pyridazine

Structural Information

Molecular Formula
C4H2ClN5
SMILES
C1=CC(=NN2C1=NN=N2)Cl
InChI
InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H
InChIKey
RRBQGBYFXZPPAH-UHFFFAOYSA-N
Compound name
6-chlorotetrazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

154.99988 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.00716 124.6
[M+Na]+ 177.98910 138.2
[M-H]- 153.99260 123.0
[M+NH4]+ 173.03370 142.6
[M+K]+ 193.96304 134.4
[M+H-H2O]+ 137.99714 115.8
[M+HCOO]- 199.99808 141.2
[M+CH3COO]- 214.01373 138.5
[M+Na-2H]- 175.97455 135.2
[M]+ 154.99933 128.1
[M]- 155.00043 128.1
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