CID 9635054

3,4-di-cl-n-(2-oxo-2-(2-(2-(trifluoromethyl)benzylidene)hydrazino)et)benzamide

Structural Information

Molecular Formula
C17H12Cl2F3N3O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C17H12Cl2F3N3O2/c18-13-6-5-10(7-14(13)19)16(27)23-9-15(26)25-24-8-11-3-1-2-4-12(11)17(20,21)22/h1-8H,9H2,(H,23,27)(H,25,26)/b24-8+
InChIKey
BDEAJAOPWMBFIR-KTZMUZOWSA-N
Compound name
3,4-dichloro-N-[2-oxo-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.02588 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.03316 190.2
[M+Na]+ 440.01510 198.3
[M-H]- 416.01860 193.8
[M+NH4]+ 435.05970 201.7
[M+K]+ 455.98904 191.2
[M+H-H2O]+ 400.02314 180.7
[M+HCOO]- 462.02408 202.9
[M+CH3COO]- 476.03973 228.7
[M+Na-2H]- 438.00055 191.6
[M]+ 417.02533 190.8
[M]- 417.02643 190.8
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.