CID 1083504

93261-01-9

Structural Information

Molecular Formula
C17H12INO
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)I)O
InChI
InChI=1S/C17H12INO/c18-13-6-8-14(9-7-13)19-11-16-15-4-2-1-3-12(15)5-10-17(16)20/h1-11,20H
InChIKey
RUIMFQJQZHKUCC-UHFFFAOYSA-N
Compound name
1-[(4-iodophenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

372.99637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00365 167.4
[M+Na]+ 395.98559 168.7
[M-H]- 371.98909 167.5
[M+NH4]+ 391.03019 179.6
[M+K]+ 411.95953 169.1
[M+H-H2O]+ 355.99363 155.6
[M+HCOO]- 417.99457 186.2
[M+CH3COO]- 432.01022 175.3
[M+Na-2H]- 393.97104 162.8
[M]+ 372.99582 164.5
[M]- 372.99692 164.5
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

patents stripe