CID 20800102

7-bromo-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
CN1C(=O)CC2=C(C1=O)C=C(C=C2)Br
InChI
InChI=1S/C10H8BrNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-3,5H,4H2,1H3
InChIKey
ADRFBHOQTPBMKI-UHFFFAOYSA-N
Compound name
7-bromo-2-methyl-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

252.97385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98113 143.7
[M+Na]+ 275.96307 148.2
[M+NH4]+ 271.00767 148.6
[M+K]+ 291.93701 147.9
[M-H]- 251.96657 144.2
[M+Na-2H]- 273.94852 146.3
[M]+ 252.97330 143.3
[M]- 252.97440 143.3
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

patents stripe