CID 3021307

Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 2,4-dichlorophenyl ester

Structural Information

Molecular Formula
C14H8Cl3NO4
SMILES
C1=CC(=C(C=C1Cl)C(=O)OC2=C(C=C(C=C2)Cl)Cl)OC(=O)N
InChI
InChI=1S/C14H8Cl3NO4/c15-7-1-3-11(22-14(18)20)9(5-7)13(19)21-12-4-2-8(16)6-10(12)17/h1-6H,(H2,18,20)
InChIKey
MJDADXLDQAHTCI-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2-carbamoyloxy-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.9519 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.95918 170.3
[M+Na]+ 381.94112 180.6
[M-H]- 357.94462 175.8
[M+NH4]+ 376.98572 184.3
[M+K]+ 397.91506 175.1
[M+H-H2O]+ 341.94916 165.7
[M+HCOO]- 403.95010 179.5
[M+CH3COO]- 417.96575 211.0
[M+Na-2H]- 379.92657 170.7
[M]+ 358.95135 176.3
[M]- 358.95245 176.3
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.