CID 82572152

1501567-39-0

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=CC2=C(C=CC=C2Br)C(=O)N1
InChI
InChI=1S/C10H8BrNO/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5H,1H3,(H,12,13)
InChIKey
JMBXDTPFZIXEPB-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97893 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 139.8
[M+Na]+ 259.96815 145.6
[M+NH4]+ 255.01275 145.3
[M+K]+ 275.94209 144.6
[M-H]- 235.97165 140.8
[M+Na-2H]- 257.95360 144.2
[M]+ 236.97838 139.8
[M]- 236.97948 139.8
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.