CID 155128835

6,8-dichloro-(1,2,4)triazolo(4,3-a)pyridine-7-carboxylic acid

Structural Information

Molecular Formula
C7H3Cl2N3O2
SMILES
C1=C(C(=C(C2=NN=CN21)Cl)C(=O)O)Cl
InChI
InChI=1S/C7H3Cl2N3O2/c8-3-1-12-2-10-11-6(12)5(9)4(3)7(13)14/h1-2H,(H,13,14)
InChIKey
MHXOYSWDMYJMJU-UHFFFAOYSA-N
Compound name
6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.96024 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96752 139.7
[M+Na]+ 253.94946 153.3
[M-H]- 229.95296 139.5
[M+NH4]+ 248.99406 157.5
[M+K]+ 269.92340 148.0
[M+H-H2O]+ 213.95750 133.6
[M+HCOO]- 275.95844 151.1
[M+CH3COO]- 289.97409 152.9
[M+Na-2H]- 251.93491 145.3
[M]+ 230.95969 144.8
[M]- 230.96079 144.8
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