CID 6481033

4-chloro-2-hydroxy-n-(1,2,4-triazol-1-yl)benzamide

Structural Information

Molecular Formula
C9H7ClN4O2
SMILES
C1=CC(=C(C=C1Cl)O)C(=O)NN2C=NC=N2
InChI
InChI=1S/C9H7ClN4O2/c10-6-1-2-7(8(15)3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKey
IKRZPSGPEWQNHU-UHFFFAOYSA-N
Compound name
4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.02576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03304 147.5
[M+Na]+ 261.01498 157.3
[M-H]- 237.01848 149.7
[M+NH4]+ 256.05958 162.7
[M+K]+ 276.98892 152.7
[M+H-H2O]+ 221.02302 139.2
[M+HCOO]- 283.02396 164.8
[M+CH3COO]- 297.03961 187.1
[M+Na-2H]- 259.00043 152.6
[M]+ 238.02521 148.7
[M]- 238.02631 148.7
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.