CID 360305

39147-10-9

Structural Information

Molecular Formula
C11H4Cl2F3NO2
SMILES
C1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C11H4Cl2F3NO2/c12-7-8(13)10(19)17(9(7)18)6-3-1-2-5(4-6)11(14,15)16/h1-4H
InChIKey
MALRBSBLPCUSNT-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.95712 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.96440 157.2
[M+Na]+ 331.94634 170.7
[M-H]- 307.94984 159.4
[M+NH4]+ 326.99094 174.5
[M+K]+ 347.92028 163.7
[M+H-H2O]+ 291.95438 149.6
[M+HCOO]- 353.95532 166.9
[M+CH3COO]- 367.97097 200.1
[M+Na-2H]- 329.93179 157.8
[M]+ 308.95657 157.8
[M]- 308.95767 157.8
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.