CID 3056617

7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide, n-bromo-

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)Br
InChI
InChI=1S/C8H8BrNO3/c9-10-7(11)5-3-1-2-4(13-3)6(5)8(10)12/h3-6H,1-2H2
InChIKey
RXOHSBYHEYZGBQ-UHFFFAOYSA-N
Compound name
2-bromo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.96877 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 150.8
[M+Na]+ 267.957988 164.4
[M-H]- 243.961494 157.4
[M+NH4]+ 263.002593 177.1
[M+K]+ 283.931928 155.8
[M+H-H2O]+ 227.966030 153.7
[M+HCOO]- 289.966971 168.1
[M+CH3COO]- 303.982621 166.3
[M+Na-2H]- 265.943436 153.6
[M]+ 244.96822142 170.0
[M]- 244.96931858 170.0
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.