CID 26686

Ocs-21,693

Structural Information

Molecular Formula
C11H9Cl4NO4
SMILES
CN(C(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl)OC
InChI
InChI=1S/C11H9Cl4NO4/c1-16(20-3)10(17)4-6(12)8(14)5(11(18)19-2)9(15)7(4)13/h1-3H3
InChIKey
CWOBGOXHYZMVNY-UHFFFAOYSA-N
Compound name
methyl 2,3,5,6-tetrachloro-4-[methoxy(methyl)carbamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

358.92856 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.93584 165.0
[M+Na]+ 381.91778 175.7
[M-H]- 357.92128 168.2
[M+NH4]+ 376.96238 180.3
[M+K]+ 397.89172 172.3
[M+H-H2O]+ 341.92582 163.1
[M+HCOO]- 403.92676 169.6
[M+CH3COO]- 417.94241 216.4
[M+Na-2H]- 379.90323 163.3
[M]+ 358.92801 173.4
[M]- 358.92911 173.4
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