CID 49767725

[2-chloro-6-[(3,4-dichlorophenyl)carbamoyl]phenyl] acetate

Structural Information

Molecular Formula
C15H10Cl3NO3
SMILES
CC(=O)OC1=C(C=CC=C1Cl)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H10Cl3NO3/c1-8(20)22-14-10(3-2-4-12(14)17)15(21)19-9-5-6-11(16)13(18)7-9/h2-7H,1H3,(H,19,21)
InChIKey
QPRGOBPKVUODGA-UHFFFAOYSA-N
Compound name
[2-chloro-6-[(3,4-dichlorophenyl)carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.97263 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.97991 172.3
[M+Na]+ 379.96185 182.4
[M-H]- 355.96535 178.0
[M+NH4]+ 375.00645 186.8
[M+K]+ 395.93579 176.3
[M+H-H2O]+ 339.96989 167.6
[M+HCOO]- 401.97083 181.6
[M+CH3COO]- 415.98648 212.3
[M+Na-2H]- 377.94730 173.0
[M]+ 356.97208 178.3
[M]- 356.97318 178.3
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.