CID 94061

2(1h)-pyridinone, 3,5,6-trichloro-4-(propylthio)-, hydrazone

Structural Information

Molecular Formula
C8H10Cl3N3S
SMILES
CCCSC1=C(C(=NC(=C1Cl)Cl)NN)Cl
InChI
InChI=1S/C8H10Cl3N3S/c1-2-3-15-6-4(9)7(11)13-8(14-12)5(6)10/h2-3,12H2,1H3,(H,13,14)
InChIKey
PHWBAMXWUKSDDP-UHFFFAOYSA-N
Compound name
(3,5,6-trichloro-4-propylsulfanylpyridin-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.9661 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97338 155.9
[M+Na]+ 307.95532 165.9
[M-H]- 283.95882 156.7
[M+NH4]+ 302.99992 172.1
[M+K]+ 323.92926 159.0
[M+H-H2O]+ 267.96336 152.0
[M+HCOO]- 329.96430 160.1
[M+CH3COO]- 343.97995 201.8
[M+Na-2H]- 305.94077 155.8
[M]+ 284.96555 159.2
[M]- 284.96665 159.2
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

patents stripe