CID 5463291

2-[(e)-2-(4-bromophenyl)ethenyl]quinoline

Structural Information

Molecular Formula
C17H12BrN
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H12BrN/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
GNFDGJRVTZZWFA-YRNVUSSQSA-N
Compound name
2-[(E)-2-(4-bromophenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.01532 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02260 163.8
[M+Na]+ 332.00454 175.3
[M-H]- 308.00804 172.3
[M+NH4]+ 327.04914 181.9
[M+K]+ 347.97848 161.8
[M+H-H2O]+ 292.01258 162.3
[M+HCOO]- 354.01352 183.4
[M+CH3COO]- 368.02917 177.5
[M+Na-2H]- 329.98999 172.5
[M]+ 309.01477 181.7
[M]- 309.01587 181.7
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