CID 58053705

1226879-79-3

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
COC1=C(C2=C(CNC2=O)C=C1)Br
InChI
InChI=1S/C9H8BrNO2/c1-13-6-3-2-5-4-11-9(12)7(5)8(6)10/h2-3H,4H2,1H3,(H,11,12)
InChIKey
CLUBNXMGJUOTNO-UHFFFAOYSA-N
Compound name
7-bromo-6-methoxy-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 144.1
[M+Na]+ 263.963068 157.3
[M-H]- 239.966574 149.3
[M+NH4]+ 259.007673 166.6
[M+K]+ 279.937008 145.9
[M+H-H2O]+ 223.971110 144.7
[M+HCOO]- 285.972051 163.3
[M+CH3COO]- 299.987701 186.0
[M+Na-2H]- 261.948516 150.3
[M]+ 240.97330142 162.6
[M]- 240.97439858 162.6
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

patents stripe