CID 214904

Itf 1021

Structural Information

Molecular Formula
C13H9ClF3N3O
SMILES
C1=CC(=CC(=C1)NNC(=O)C2=C(N=CC=C2)Cl)C(F)(F)F
InChI
InChI=1S/C13H9ClF3N3O/c14-11-10(5-2-6-18-11)12(21)20-19-9-4-1-3-8(7-9)13(15,16)17/h1-7,19H,(H,20,21)
InChIKey
FMYOTHNEYZXAQS-UHFFFAOYSA-N
Compound name
2-chloro-N'-[3-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.03864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04592 164.5
[M+Na]+ 338.02786 173.1
[M-H]- 314.03136 166.1
[M+NH4]+ 333.07246 177.8
[M+K]+ 354.00180 166.9
[M+H-H2O]+ 298.03590 154.2
[M+HCOO]- 360.03684 180.0
[M+CH3COO]- 374.05249 206.7
[M+Na-2H]- 336.01331 169.9
[M]+ 315.03809 161.6
[M]- 315.03919 161.6
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.