CID 207051

Brn 2904373

Structural Information

Molecular Formula
C17H15Cl2NO4
SMILES
CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)OCOC(=O)C)Cl
InChI
InChI=1S/C17H15Cl2NO4/c1-10-7-8-13(18)16(15(10)19)20-14-6-4-3-5-12(14)17(22)24-9-23-11(2)21/h3-8,20H,9H2,1-2H3
InChIKey
OORWAIBGMXEBIQ-UHFFFAOYSA-N
Compound name
acetyloxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0378 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04508 178.7
[M+Na]+ 390.02702 187.8
[M-H]- 366.03052 185.4
[M+NH4]+ 385.07162 192.6
[M+K]+ 406.00096 182.7
[M+H-H2O]+ 350.03506 172.6
[M+HCOO]- 412.03600 192.9
[M+CH3COO]- 426.05165 215.5
[M+Na-2H]- 388.01247 179.5
[M]+ 367.03725 186.5
[M]- 367.03835 186.5
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.