CID 4527956

1-(2,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H7Cl2N3O2
SMILES
CC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H7Cl2N3O2/c1-5-13-9(10(16)17)14-15(5)8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,16,17)
InChIKey
RGTMBPMKMXREPX-UHFFFAOYSA-N
Compound name
1-(2,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.99155 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99883 154.2
[M+Na]+ 293.98077 169.1
[M+NH4]+ 289.02537 161.1
[M+K]+ 309.95471 164.7
[M-H]- 269.98427 155.1
[M+Na-2H]- 291.96622 160.7
[M]+ 270.99100 157.0
[M]- 270.99210 157.0
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

No patent data available for this compound.