CID 9575547

Benzenecarboximidamide, 4-bromo-2-chloro-n'-[(1-naphthalenylcarbonyl)oxy]-

Structural Information

Molecular Formula
C18H12BrClN2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(\C3=C(C=C(C=C3)Br)Cl)/N
InChI
InChI=1S/C18H12BrClN2O2/c19-12-8-9-15(16(20)10-12)17(21)22-24-18(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,21,22)
InChIKey
ZSHCIVCIFZXGOF-UHFFFAOYSA-N
Compound name
[(E)-[amino-(4-bromo-2-chlorophenyl)methylidene]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.97708 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.98436 183.2
[M+Na]+ 424.96630 193.9
[M-H]- 400.96980 193.5
[M+NH4]+ 420.01090 199.3
[M+K]+ 440.94024 180.4
[M+H-H2O]+ 384.97434 181.1
[M+HCOO]- 446.97528 200.4
[M+CH3COO]- 460.99093 221.2
[M+Na-2H]- 422.95175 188.1
[M]+ 401.97653 203.7
[M]- 401.97763 203.7
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.