CID 3585236

Methyl 2-({[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}amino)benzoate

Structural Information

Molecular Formula
C16H17Cl2NO3
SMILES
CC1(C(C1C(=O)NC2=CC=CC=C2C(=O)OC)C=C(Cl)Cl)C
InChI
InChI=1S/C16H17Cl2NO3/c1-16(2)10(8-12(17)18)13(16)14(20)19-11-7-5-4-6-9(11)15(21)22-3/h4-8,10,13H,1-3H3,(H,19,20)
InChIKey
HFQAPTUIFKOBRP-UHFFFAOYSA-N
Compound name
methyl 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.05856 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06584 166.7
[M+Na]+ 364.04778 176.2
[M-H]- 340.05128 173.6
[M+NH4]+ 359.09238 178.9
[M+K]+ 380.02172 170.6
[M+H-H2O]+ 324.05582 163.0
[M+HCOO]- 386.05676 179.3
[M+CH3COO]- 400.07241 212.9
[M+Na-2H]- 362.03323 167.2
[M]+ 341.05801 174.5
[M]- 341.05911 174.5
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.