CID 24212770

853330-40-2

Structural Information

Molecular Formula
C14H12ClNO4
SMILES
COC(=O)CNC(=O)C1=CC=C(O1)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H12ClNO4/c1-19-13(17)8-16-14(18)12-7-6-11(20-12)9-4-2-3-5-10(9)15/h2-7H,8H2,1H3,(H,16,18)
InChIKey
BPBRUNSBXHMFDF-UHFFFAOYSA-N
Compound name
methyl 2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.04547 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05275 165.0
[M+Na]+ 316.03469 173.2
[M-H]- 292.03819 172.9
[M+NH4]+ 311.07929 181.3
[M+K]+ 332.00863 170.5
[M+H-H2O]+ 276.04273 158.7
[M+HCOO]- 338.04367 184.9
[M+CH3COO]- 352.05932 199.9
[M+Na-2H]- 314.02014 167.5
[M]+ 293.04492 170.6
[M]- 293.04602 170.7
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.