CID 45599608

4-bromo-6-methoxy-2-phenylquinoline

Structural Information

Molecular Formula
C16H12BrNO
SMILES
COC1=CC2=C(C=C1)N=C(C=C2Br)C3=CC=CC=C3
InChI
InChI=1S/C16H12BrNO/c1-19-12-7-8-15-13(9-12)14(17)10-16(18-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
SQYGESKRCNXFSQ-UHFFFAOYSA-N
Compound name
4-bromo-6-methoxy-2-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.01022 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.01750 163.4
[M+Na]+ 335.99944 175.7
[M-H]- 312.00294 172.4
[M+NH4]+ 331.04404 181.6
[M+K]+ 351.97338 163.6
[M+H-H2O]+ 296.00748 161.9
[M+HCOO]- 358.00842 183.3
[M+CH3COO]- 372.02407 177.6
[M+Na-2H]- 333.98489 171.9
[M]+ 313.00967 183.4
[M]- 313.01077 183.4
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.