CID 20714

Brn 0827953

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O3/c17-12-6-8-13(9-7-12)22-10-16(11-4-2-1-3-5-11)14(20)18-15(21)19-16/h1-9H,10H2,(H2,18,19,20,21)
InChIKey
CLXMAVRJCSBRBL-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenoxy)methyl]-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 170.0
[M+Na]+ 339.05068 178.8
[M-H]- 315.05418 174.8
[M+NH4]+ 334.09528 184.6
[M+K]+ 355.02462 171.6
[M+H-H2O]+ 299.05872 161.7
[M+HCOO]- 361.05966 183.7
[M+CH3COO]- 375.07531 180.4
[M+Na-2H]- 337.03613 172.4
[M]+ 316.06091 168.9
[M]- 316.06201 168.9
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

No patent data available for this compound.