CID 14097605

2-((4-bromophenoxy)methyl)quinoline

Structural Information

Molecular Formula
C16H12BrNO
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)Br
InChI
InChI=1S/C16H12BrNO/c17-13-6-9-15(10-7-13)19-11-14-8-5-12-3-1-2-4-16(12)18-14/h1-10H,11H2
InChIKey
SLEFEGOGGSCFQY-UHFFFAOYSA-N
Compound name
2-[(4-bromophenoxy)methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

313.01022 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.01750 163.4
[M+Na]+ 335.99944 174.8
[M-H]- 312.00294 172.0
[M+NH4]+ 331.04404 181.3
[M+K]+ 351.97338 162.7
[M+H-H2O]+ 296.00748 161.7
[M+HCOO]- 358.00842 183.3
[M+CH3COO]- 372.02407 177.2
[M+Na-2H]- 333.98489 172.6
[M]+ 313.00967 183.0
[M]- 313.01077 183.0
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

patents stripe