CID 66545212

7-bromo-6-hydroxy-5-methyl-2,3-dihydro-1h-isoindol-1-one

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]+ 241.981126 144.7
[M+Na]+ 263.963068 158.3
[M-H]- 239.966574 148.9
[M+NH4]+ 259.007673 166.7
[M+K]+ 279.937008 146.0
[M+H-H2O]+ 223.971110 145.6
[M+HCOO]- 285.972051 162.4
[M+CH3COO]- 299.987701 184.8
[M+Na-2H]- 261.948516 149.7
[M]+ 240.97330142 161.8
[M]- 240.97439858 161.8
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.