CID 13648462

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

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
CC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C10H8ClN3O2/c1-6-12-9(10(15)16)13-14(6)8-5-3-2-4-7(8)11/h2-5H,1H3,(H,15,16)
InChIKey
WJNAOSHNSBEKEB-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 148.5
[M+Na]+ 260.01972 162.7
[M+NH4]+ 255.06432 155.3
[M+K]+ 275.99366 158.8
[M-H]- 236.02322 149.5
[M+Na-2H]- 258.00517 155.4
[M]+ 237.02995 150.9
[M]- 237.03105 150.9
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

No patent data available for this compound.