CID 468617

Chembl3091888

Structural Information

Molecular Formula
C8H8Cl3N3O2
SMILES
C1=CN=CC=C1C(=O)NNC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C8H8Cl3N3O2/c9-8(10,11)7(16)14-13-6(15)5-1-3-12-4-2-5/h1-4,7,14,16H,(H,13,15)
InChIKey
PGJIZGZOBUWKSE-UHFFFAOYSA-N
Compound name
N'-(2,2,2-trichloro-1-hydroxyethyl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.9682 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97548 154.3
[M+Na]+ 305.95742 161.1
[M-H]- 281.96092 153.7
[M+NH4]+ 301.00202 168.6
[M+K]+ 321.93136 156.0
[M+H-H2O]+ 265.96546 150.0
[M+HCOO]- 327.96640 160.6
[M+CH3COO]- 341.98205 195.9
[M+Na-2H]- 303.94287 159.3
[M]+ 282.96765 154.5
[M]- 282.96875 154.5
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.