CID 77721

Methyl 4-acetamido-5-chloro-2-methoxybenzoate

Structural Information

Molecular Formula
C11H12ClNO4
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl
InChI
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
InChIKey
OUEXNQRVYGYGIK-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-5-chloro-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

264
Patents

257.04547 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05275 151.6
[M+Na]+ 280.03469 160.9
[M-H]- 256.03819 156.1
[M+NH4]+ 275.07929 169.7
[M+K]+ 296.00863 158.6
[M+H-H2O]+ 240.04273 146.6
[M+HCOO]- 302.04367 171.5
[M+CH3COO]- 316.05932 196.5
[M+Na-2H]- 278.02014 154.3
[M]+ 257.04492 157.8
[M]- 257.04602 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe