CID 5377682

(e)-2-(4-chlorostyryl)quinoline

Structural Information

Molecular Formula
C17H12ClN
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClN/c18-15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)19-16/h1-12H/b11-7+
InChIKey
PWZHLFSCFYMSMR-YRNVUSSQSA-N
Compound name
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

265.06583 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07311 159.1
[M+Na]+ 288.05505 168.9
[M-H]- 264.05855 164.9
[M+NH4]+ 283.09965 176.1
[M+K]+ 304.02899 161.0
[M+H-H2O]+ 248.06309 150.9
[M+HCOO]- 310.06403 176.4
[M+CH3COO]- 324.07968 171.2
[M+Na-2H]- 286.04050 166.6
[M]+ 265.06528 160.5
[M]- 265.06638 160.5
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.