CID 146155280

2364527-49-9

Structural Information

Molecular Formula
C11H5BrF3NO2
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C(=O)C=C(C2=O)Br
InChI
InChI=1S/C11H5BrF3NO2/c12-8-5-9(17)16(10(8)18)7-3-1-6(2-4-7)11(13,14)15/h1-5H
InChIKey
OBMMWYHNIKBSLY-UHFFFAOYSA-N
Compound name
3-bromo-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.9456 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.95288 161.1
[M+Na]+ 341.93482 175.5
[M-H]- 317.93832 166.5
[M+NH4]+ 336.97942 180.2
[M+K]+ 357.90876 163.2
[M+H-H2O]+ 301.94286 158.7
[M+HCOO]- 363.94380 178.3
[M+CH3COO]- 377.95945 200.0
[M+Na-2H]- 339.92027 164.3
[M]+ 318.94505 176.8
[M]- 318.94615 176.8
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.