CID 23158178

6-bromo-2-methyl-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CN1C=CC2=C(C1=O)C=CC(=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-12-5-4-7-6-8(11)2-3-9(7)10(12)13/h2-6H,1H3
InChIKey
XWALISSRSGMCSU-UHFFFAOYSA-N
Compound name
6-bromo-2-methylisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

236.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 139.0
[M+Na]+ 259.96815 153.2
[M-H]- 235.97165 145.7
[M+NH4]+ 255.01275 160.8
[M+K]+ 275.94209 141.8
[M+H-H2O]+ 219.97619 139.1
[M+HCOO]- 281.97713 159.8
[M+CH3COO]- 295.99278 189.2
[M+Na-2H]- 257.95360 148.7
[M]+ 236.97838 159.0
[M]- 236.97948 159.0
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

patents stripe