CID 93536

Fenchlorazole

Structural Information

Molecular Formula
C10H4Cl5N3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)N2C(=NC(=N2)C(=O)O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H4Cl5N3O2/c11-4-1-2-6(5(12)3-4)18-9(10(13,14)15)16-7(17-18)8(19)20/h1-3H,(H,19,20)
InChIKey
HKELWJONQIFBPO-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9882
Patents

372.8746 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.88188 179.5
[M+Na]+ 395.86382 192.7
[M+NH4]+ 390.90842 184.9
[M+K]+ 411.83776 187.3
[M-H]- 371.86732 178.4
[M+Na-2H]- 393.84927 183.8
[M]+ 372.87405 182.1
[M]- 372.87515 182.1
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

patents stripe