CID 21535290

Schembl4757270

Structural Information

Molecular Formula
C9H9Br2NO2
SMILES
C1C2C3C(C1C(C2Br)Br)C(=O)NC3=O
InChI
InChI=1S/C9H9Br2NO2/c10-6-2-1-3(7(6)11)5-4(2)8(13)12-9(5)14/h2-7H,1H2,(H,12,13,14)
InChIKey
DURHTQOGKMMFOC-UHFFFAOYSA-N
Compound name
8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

320.9 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.907276 159.6
[M+Na]+ 343.889218 172.1
[M-H]- 319.892724 165.4
[M+NH4]+ 338.933823 183.0
[M+K]+ 359.863158 157.6
[M+H-H2O]+ 303.897260 169.5
[M+HCOO]- 365.898201 171.7
[M+CH3COO]- 379.913851 173.0
[M+Na-2H]- 341.874666 160.8
[M]+ 320.89945142 191.0
[M]- 320.90054858 191.0
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