CID 721217

Methyl 2-[(4-chloro-3-nitrophenyl)formamido]acetate

Structural Information

Molecular Formula
C10H9ClN2O5
SMILES
COC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H9ClN2O5/c1-18-9(14)5-12-10(15)6-2-3-7(11)8(4-6)13(16)17/h2-4H,5H2,1H3,(H,12,15)
InChIKey
XNJVTNSOVUSNRD-UHFFFAOYSA-N
Compound name
methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

272.02 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02728 154.4
[M+Na]+ 295.00922 161.3
[M-H]- 271.01272 158.2
[M+NH4]+ 290.05382 170.3
[M+K]+ 310.98316 155.1
[M+H-H2O]+ 255.01726 153.7
[M+HCOO]- 317.01820 175.3
[M+CH3COO]- 331.03385 190.9
[M+Na-2H]- 292.99467 159.3
[M]+ 272.01945 157.0
[M]- 272.02055 157.0
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