CID 67384251

1336963-95-1

Structural Information

Molecular Formula
C8H3BrFNO2
SMILES
C1=CC(=C(C2=C1C(=O)C(=O)N2)F)Br
InChI
InChI=1S/C8H3BrFNO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChIKey
GVZVXBNHVMAAAK-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

242.93312 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.94040 141.2
[M+Na]+ 265.92234 156.0
[M-H]- 241.92584 145.7
[M+NH4]+ 260.96694 163.8
[M+K]+ 281.89628 143.8
[M+H-H2O]+ 225.93038 141.4
[M+HCOO]- 287.93132 160.0
[M+CH3COO]- 301.94697 186.1
[M+Na-2H]- 263.90779 146.7
[M]+ 242.93257 158.1
[M]- 242.93367 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe