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]+ 241.98113 144.1
[M+Na]+ 263.96307 157.3
[M-H]- 239.96657 149.3
[M+NH4]+ 259.00767 166.6
[M+K]+ 279.93701 145.9
[M+H-H2O]+ 223.97111 144.7
[M+HCOO]- 285.97205 163.3
[M+CH3COO]- 299.98770 186.0
[M+Na-2H]- 261.94852 150.3
[M]+ 240.97330 162.6
[M]- 240.97440 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