CID 66545212

1357147-46-6

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
CC1=CC2=C(C(=C1O)Br)C(=O)NC2
InChI
InChI=1S/C9H8BrNO2/c1-4-2-5-3-11-9(13)6(5)7(10)8(4)12/h2,12H,3H2,1H3,(H,11,13)
InChIKey
FRSIBNMXFNLVIK-UHFFFAOYSA-N
Compound name
7-bromo-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 147.7
[M+Na]+ 263.96307 150.3
[M+NH4]+ 259.00767 152.0
[M+K]+ 279.93701 152.2
[M-H]- 239.96657 146.7
[M+Na-2H]- 261.94852 148.1
[M]+ 240.97330 146.4
[M]- 240.97440 146.4
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.