CID 3056617

73816-37-2

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]+ 245.97605 150.8
[M+Na]+ 267.95799 164.4
[M-H]- 243.96149 157.4
[M+NH4]+ 263.00259 177.1
[M+K]+ 283.93193 155.8
[M+H-H2O]+ 227.96603 153.7
[M+HCOO]- 289.96697 168.1
[M+CH3COO]- 303.98262 166.3
[M+Na-2H]- 265.94344 153.6
[M]+ 244.96822 170.0
[M]- 244.96932 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.