CID 473559

1-[4-(4,7-dichloro-1,3-benzoxazol-2-yl)phenyl]pyrrole-2,5-dione

Structural Information

Molecular Formula
C17H8Cl2N2O3
SMILES
C1=CC(=CC=C1C2=NC3=C(C=CC(=C3O2)Cl)Cl)N4C(=O)C=CC4=O
InChI
InChI=1S/C17H8Cl2N2O3/c18-11-5-6-12(19)16-15(11)20-17(24-16)9-1-3-10(4-2-9)21-13(22)7-8-14(21)23/h1-8H
InChIKey
QMFWYJONCJZTEL-UHFFFAOYSA-N
Compound name
1-[4-(4,7-dichloro-1,3-benzoxazol-2-yl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.9912 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.99848 180.3
[M+Na]+ 380.98042 194.7
[M-H]- 356.98392 190.2
[M+NH4]+ 376.02502 195.3
[M+K]+ 396.95436 188.3
[M+H-H2O]+ 340.98846 172.6
[M+HCOO]- 402.98940 193.4
[M+CH3COO]- 417.00505 193.0
[M+Na-2H]- 378.96587 180.5
[M]+ 357.99065 188.3
[M]- 357.99175 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.