CID 25323874

Methyl 3,5-dichloro-2-(2-chloroacetamido)benzoate

Structural Information

Molecular Formula
C10H8Cl3NO3
SMILES
COC(=O)C1=C(C(=CC(=C1)Cl)Cl)NC(=O)CCl
InChI
InChI=1S/C10H8Cl3NO3/c1-17-10(16)6-2-5(12)3-7(13)9(6)14-8(15)4-11/h2-3H,4H2,1H3,(H,14,15)
InChIKey
BQUHWTMYNAGXFV-UHFFFAOYSA-N
Compound name
methyl 3,5-dichloro-2-[(2-chloroacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

294.95697 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.96425 157.4
[M+Na]+ 317.94619 170.4
[M+NH4]+ 312.99079 164.6
[M+K]+ 333.92013 164.0
[M-H]- 293.94969 158.2
[M+Na-2H]- 315.93164 162.5
[M]+ 294.95642 160.2
[M]- 294.95752 160.2
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