CID 511476

Probes1_000368

Structural Information

Molecular Formula
C11H7Br2NO2
SMILES
CC(=O)OC1=C(C=C(C2=C1N=CC=C2)Br)Br
InChI
InChI=1S/C11H7Br2NO2/c1-6(15)16-11-9(13)5-8(12)7-3-2-4-14-10(7)11/h2-5H,1H3
InChIKey
MUIOQQIOJYTXPZ-UHFFFAOYSA-N
Compound name
(5,7-dibromoquinolin-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.88434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.89162 146.7
[M+Na]+ 365.87356 158.2
[M-H]- 341.87706 153.4
[M+NH4]+ 360.91816 164.5
[M+K]+ 381.84750 143.6
[M+H-H2O]+ 325.88160 154.6
[M+HCOO]- 387.88254 161.3
[M+CH3COO]- 401.89819 209.6
[M+Na-2H]- 363.85901 154.3
[M]+ 342.88379 182.6
[M]- 342.88489 182.6
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.