CID 4207881

(5-(4-nitrophenyl)furan-2-yl)methyl 2-chloroacetate

Structural Information

Molecular Formula
C13H10ClNO5
SMILES
C1=CC(=CC=C1C2=CC=C(O2)COC(=O)CCl)[N+](=O)[O-]
InChI
InChI=1S/C13H10ClNO5/c14-7-13(16)19-8-11-5-6-12(20-11)9-1-3-10(4-2-9)15(17)18/h1-6H,7-8H2
InChIKey
ZUSJCCJPRXAQCN-UHFFFAOYSA-N
Compound name
[5-(4-nitrophenyl)furan-2-yl]methyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.02475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03203 161.0
[M+Na]+ 318.01397 174.7
[M+NH4]+ 313.05857 168.2
[M+K]+ 333.98791 173.1
[M-H]- 294.01747 166.0
[M+Na-2H]- 315.99942 167.1
[M]+ 295.02420 164.4
[M]- 295.02530 164.4
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.