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]+ 241.98113 144.7
[M+Na]+ 263.96307 158.3
[M-H]- 239.96657 148.9
[M+NH4]+ 259.00767 166.7
[M+K]+ 279.93701 146.0
[M+H-H2O]+ 223.97111 145.6
[M+HCOO]- 285.97205 162.4
[M+CH3COO]- 299.98770 184.8
[M+Na-2H]- 261.94852 149.7
[M]+ 240.97330 161.8
[M]- 240.97440 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.