CID 9575556

Benzenecarboximidamide, 2,4,6-trichloro-n'-[(1-naphthalenylcarbonyl)oxy]-

Structural Information

Molecular Formula
C18H11Cl3N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(\C3=C(C=C(C=C3Cl)Cl)Cl)/N
InChI
InChI=1S/C18H11Cl3N2O2/c19-11-8-14(20)16(15(21)9-11)17(22)23-25-18(24)13-7-3-5-10-4-1-2-6-12(10)13/h1-9H,(H2,22,23)
InChIKey
JDRPHRPMIWNIRX-UHFFFAOYSA-N
Compound name
[(E)-[amino-(2,4,6-trichlorophenyl)methylidene]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.98862 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99590 185.3
[M+Na]+ 414.97784 195.1
[M-H]- 390.98134 192.0
[M+NH4]+ 410.02244 199.2
[M+K]+ 430.95178 188.1
[M+H-H2O]+ 374.98588 179.3
[M+HCOO]- 436.98682 194.8
[M+CH3COO]- 451.00247 195.4
[M+Na-2H]- 412.96329 187.1
[M]+ 391.98807 190.4
[M]- 391.98917 190.4
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

No patent data available for this compound.