CID 16684378

Dv 49

Structural Information

Molecular Formula
C10H6Br2NO2Sb
SMILES
CC1=C(C2=C(C(=C1Br)O[Sb]=O)N=CC=C2)Br
InChI
InChI=1S/C10H7Br2NO.O.Sb/c1-5-7(11)6-3-2-4-13-9(6)10(14)8(5)12;;/h2-4,14H,1H3;;/q;;+1/p-1
InChIKey
OGSOHJDEDWBPBZ-UHFFFAOYSA-M
Compound name
(5,7-dibromo-6-methylquinolin-8-yl)oxy-oxostibane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.78033 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.78761 162.1
[M+Na]+ 473.76955 173.7
[M-H]- 449.77305 168.3
[M+NH4]+ 468.81415 179.1
[M+K]+ 489.74349 158.4
[M+H-H2O]+ 433.77759 169.1
[M+HCOO]- 495.77853 176.5
[M+CH3COO]- 509.79418 213.5
[M+Na-2H]- 471.75500 168.3
[M]+ 450.77978 198.7
[M]- 450.78088 198.7
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.