CID 3829983

5-(4-nitrophenyl)furan-2-carbonyl chloride

Structural Information

Molecular Formula
C11H6ClNO4
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H6ClNO4/c12-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)13(15)16/h1-6H
InChIKey
IFEAELRKQSGSSY-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)furan-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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.

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