CID 79015918

1538716-02-7

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=CC2=C(C=CNC2=O)C(=C1)Br
InChI
InChI=1S/C10H8BrNO/c1-6-4-8-7(9(11)5-6)2-3-12-10(8)13/h2-5H,1H3,(H,12,13)
InChIKey
YCUWCZSCZRCUHK-UHFFFAOYSA-N
Compound name
5-bromo-7-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 140.0
[M+Na]+ 259.96815 153.8
[M-H]- 235.97165 145.4
[M+NH4]+ 255.01275 161.1
[M+K]+ 275.94209 141.4
[M+H-H2O]+ 219.97619 140.3
[M+HCOO]- 281.97713 159.4
[M+CH3COO]- 295.99278 155.4
[M+Na-2H]- 257.95360 149.2
[M]+ 236.97838 158.3
[M]- 236.97948 158.3
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.