CID 46915934

5-bromo-7-(trifluoromethyl)-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H3BrF3NO2
SMILES
C1=C(C=C(C2=C1C(=O)C(=O)N2)C(F)(F)F)Br
InChI
InChI=1S/C9H3BrF3NO2/c10-3-1-4-6(14-8(16)7(4)15)5(2-3)9(11,12)13/h1-2H,(H,14,15,16)
InChIKey
FUSDTCGITGSLPQ-UHFFFAOYSA-N
Compound name
5-bromo-7-(trifluoromethyl)-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

292.92993 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.93721 155.5
[M+Na]+ 315.91915 170.3
[M-H]- 291.92265 157.5
[M+NH4]+ 310.96375 176.1
[M+K]+ 331.89309 157.4
[M+H-H2O]+ 275.92719 154.2
[M+HCOO]- 337.92813 170.3
[M+CH3COO]- 351.94378 193.8
[M+Na-2H]- 313.90460 159.8
[M]+ 292.92938 169.8
[M]- 292.93048 169.8
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

patents stripe