CID 145874800

2375262-02-3

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=CNC2=O)Br
InChI
InChI=1S/C9H5BrN2O3/c10-8-4-11-9(13)6-2-1-5(12(14)15)3-7(6)8/h1-4H,(H,11,13)
InChIKey
LWJMKZAJTVSUBQ-UHFFFAOYSA-N
Compound name
4-bromo-6-nitro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94836 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95564 147.0
[M+Na]+ 290.93758 152.1
[M+NH4]+ 285.98218 151.4
[M+K]+ 306.91152 154.3
[M-H]- 266.94108 148.3
[M+Na-2H]- 288.92303 150.1
[M]+ 267.94781 146.8
[M]- 267.94891 146.8
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.