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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.