CID 690806

737-67-7

Structural Information

Molecular Formula
C17H11Cl2NO
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H11Cl2NO/c18-15-7-6-12(9-16(15)19)20-10-14-13-4-2-1-3-11(13)5-8-17(14)21/h1-10,21H
InChIKey
LTRXHTNIQLGEJM-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.02176 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.02904 168.7
[M+Na]+ 338.01098 179.9
[M-H]- 314.01448 176.0
[M+NH4]+ 333.05558 185.8
[M+K]+ 353.98492 171.8
[M+H-H2O]+ 298.01902 162.4
[M+HCOO]- 360.01996 183.6
[M+CH3COO]- 374.03561 180.9
[M+Na-2H]- 335.99643 174.4
[M]+ 315.02121 172.9
[M]- 315.02231 172.9
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.