CID 360352

186958-58-7

Structural Information

Molecular Formula
C10Cl2F5NO2
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)N2C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C10Cl2F5NO2/c11-1-2(12)10(20)18(9(1)19)8-6(16)4(14)3(13)5(15)7(8)17
InChIKey
QQUWZXNLBVBCLD-UHFFFAOYSA-N
Compound name
3,4-dichloro-1-(2,3,4,5,6-pentafluorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

330.92264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.92992 153.7
[M+Na]+ 353.91186 170.6
[M-H]- 329.91536 154.3
[M+NH4]+ 348.95646 170.8
[M+K]+ 369.88580 162.7
[M+H-H2O]+ 313.91990 145.2
[M+HCOO]- 375.92084 163.2
[M+CH3COO]- 389.93649 208.0
[M+Na-2H]- 351.89731 150.5
[M]+ 330.92209 153.9
[M]- 330.92319 153.9
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