CID 2771973

5-(2-nitrophenyl)furan-2-carbonyl chloride

Structural Information

Molecular Formula
C11H6ClNO4
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H6ClNO4/c12-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)13(15)16/h1-6H
InChIKey
RRWHGDGMPQFABA-UHFFFAOYSA-N
Compound name
5-(2-nitrophenyl)furan-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

250.99854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00582 148.8
[M+Na]+ 273.98776 163.4
[M+NH4]+ 269.03236 157.0
[M+K]+ 289.96170 161.8
[M-H]- 249.99126 154.4
[M+Na-2H]- 271.97321 155.9
[M]+ 250.99799 152.7
[M]- 250.99909 152.7
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

patents stripe