CID 22989292

6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H3ClN4O2
SMILES
C1=CC(=NN2C1=NC(=N2)C(=O)O)Cl
InChI
InChI=1S/C6H3ClN4O2/c7-3-1-2-4-8-5(6(12)13)10-11(4)9-3/h1-2H,(H,12,13)
InChIKey
FTZDILJQOJEYLX-UHFFFAOYSA-N
Compound name
6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

197.99445 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.001726 134.3
[M+Na]+ 220.983668 147.4
[M-H]- 196.987174 133.4
[M+NH4]+ 216.028273 151.4
[M+K]+ 236.957608 143.2
[M+H-H2O]+ 180.991710 126.9
[M+HCOO]- 242.992651 150.0
[M+CH3COO]- 257.008301 147.7
[M+Na-2H]- 218.969116 141.9
[M]+ 197.99390142 138.3
[M]- 197.99499858 138.3
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

patents stripe