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

literature stripe

Patent stripe

patents stripe