CID 292702

3230-63-5

Structural Information

Molecular Formula
C17H12BrNO
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C17H12BrNO/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
PXLPAZKKRLOYAO-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

325.01022 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.01750 166.7
[M+Na]+ 347.99944 177.9
[M-H]- 324.00294 176.7
[M+NH4]+ 343.04404 185.3
[M+K]+ 363.97338 165.0
[M+H-H2O]+ 308.00748 165.1
[M+HCOO]- 370.00842 188.5
[M+CH3COO]- 384.02407 180.6
[M+Na-2H]- 345.98489 174.9
[M]+ 325.00967 185.1
[M]- 325.01077 185.1
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