CID 3054467

8-(1,2-dibromoethoxy)quinoline

Structural Information

Molecular Formula
C11H9Br2NO
SMILES
C1=CC2=C(C(=C1)OC(CBr)Br)N=CC=C2
InChI
InChI=1S/C11H9Br2NO/c12-7-10(13)15-9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H,7H2
InChIKey
SULATUWENQSPHQ-UHFFFAOYSA-N
Compound name
8-(1,2-dibromoethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9051 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.91238 147.0
[M+Na]+ 351.89432 157.2
[M-H]- 327.89782 153.2
[M+NH4]+ 346.93892 164.9
[M+K]+ 367.86826 142.6
[M+H-H2O]+ 311.90236 155.1
[M+HCOO]- 373.90330 161.5
[M+CH3COO]- 387.91895 207.5
[M+Na-2H]- 349.87977 155.7
[M]+ 328.90455 182.0
[M]- 328.90565 182.0
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

No patent data available for this compound.