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

1
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

patents stripe