CID 9575545

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

Structural Information

Molecular Formula
C18H12ClFN2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(\C3=C(C=C(C=C3)F)Cl)/N
InChI
InChI=1S/C18H12ClFN2O2/c19-16-10-12(20)8-9-15(16)17(21)22-24-18(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,21,22)
InChIKey
IFUYKTZWDYVKDS-UHFFFAOYSA-N
Compound name
[(E)-[amino-(2-chloro-4-fluorophenyl)methylidene]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.05713 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06441 176.2
[M+Na]+ 365.04635 184.8
[M-H]- 341.04985 183.4
[M+NH4]+ 360.09095 191.1
[M+K]+ 381.02029 178.8
[M+H-H2O]+ 325.05439 167.4
[M+HCOO]- 387.05533 195.1
[M+CH3COO]- 401.07098 216.2
[M+Na-2H]- 363.03180 180.0
[M]+ 342.05658 177.7
[M]- 342.05768 177.7
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.