CID 42077

Tfphm

Structural Information

Molecular Formula
C14H4F4N2O4
SMILES
C1=CC(=O)N(C1=O)C2=C(C(=C(C(=C2F)F)F)N3C(=O)C=CC3=O)F
InChI
InChI=1S/C14H4F4N2O4/c15-9-10(16)13(19-5(21)1-2-6(19)22)12(18)14(11(9)17)20-7(23)3-4-8(20)24/h1-4H
InChIKey
SUPCLWXGARWYKB-UHFFFAOYSA-N
Compound name
1-[3-(2,5-dioxopyrrol-1-yl)-2,4,5,6-tetrafluorophenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.0107 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.01798 165.0
[M+Na]+ 362.99992 179.4
[M-H]- 339.00342 169.8
[M+NH4]+ 358.04452 180.1
[M+K]+ 378.97386 173.7
[M+H-H2O]+ 323.00796 154.9
[M+HCOO]- 385.00890 183.9
[M+CH3COO]- 399.02455 211.1
[M+Na-2H]- 360.98537 160.0
[M]+ 340.01015 163.7
[M]- 340.01125 163.7
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