CID 362235

Nsc625839

Structural Information

Molecular Formula
C10H10Cl3N3O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC(=O)NN
InChI
InChI=1S/C10H10Cl3N3O2/c11-5-3-7(13)8(4-6(5)12)15-9(17)1-2-10(18)16-14/h3-4H,1-2,14H2,(H,15,17)(H,16,18)
InChIKey
YBAAWIBFRQGHOO-UHFFFAOYSA-N
Compound name
4-hydrazinyl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.98386 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.99114 165.6
[M+Na]+ 331.97308 173.8
[M-H]- 307.97658 167.5
[M+NH4]+ 327.01768 181.0
[M+K]+ 347.94702 168.0
[M+H-H2O]+ 291.98112 162.1
[M+HCOO]- 353.98206 176.1
[M+CH3COO]- 367.99771 208.2
[M+Na-2H]- 329.95853 166.0
[M]+ 308.98331 167.3
[M]- 308.98441 167.3
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.