CID 690822

1-(2-chlorophenyliminomethyl)-2-naphthol

Structural Information

Molecular Formula
C17H12ClNO
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=C3Cl)O
InChI
InChI=1S/C17H12ClNO/c18-15-7-3-4-8-16(15)19-11-14-13-6-2-1-5-12(13)9-10-17(14)20/h1-11,20H
InChIKey
CCJOATMTBHIDMK-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06073 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.068006 161.9
[M+Na]+ 304.049948 171.8
[M-H]- 280.053454 169.7
[M+NH4]+ 299.094553 179.7
[M+K]+ 320.023888 164.8
[M+H-H2O]+ 264.057990 154.8
[M+HCOO]- 326.058931 182.0
[M+CH3COO]- 340.074581 174.6
[M+Na-2H]- 302.035396 169.2
[M]+ 281.06018142 164.3
[M]- 281.06127858 164.3
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.