CID 16072912

2-(3-chlorostyryl)quinolin-8-ol

Structural Information

Molecular Formula
C17H12ClNO
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H12ClNO/c18-14-5-1-3-12(11-14)7-9-15-10-8-13-4-2-6-16(20)17(13)19-15/h1-11,20H/b9-7+
InChIKey
PBQODLLMBOBCMS-VQHVLOKHSA-N
Compound name
2-[(E)-2-(3-chlorophenyl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

281.06073 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06801 162.5
[M+Na]+ 304.04995 172.8
[M-H]- 280.05345 167.5
[M+NH4]+ 299.09455 178.4
[M+K]+ 320.02389 164.7
[M+H-H2O]+ 264.05799 154.8
[M+HCOO]- 326.05893 178.6
[M+CH3COO]- 340.07458 174.3
[M+Na-2H]- 302.03540 169.0
[M]+ 281.06018 164.0
[M]- 281.06128 164.0
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.