CID 89782115

1453798-38-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe