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

63
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 152.5
[M+Na]+ 273.98776 160.9
[M-H]- 249.99126 160.3
[M+NH4]+ 269.03236 169.7
[M+K]+ 289.96170 154.4
[M+H-H2O]+ 233.99580 151.5
[M+HCOO]- 295.99674 173.6
[M+CH3COO]- 310.01239 184.4
[M+Na-2H]- 271.97321 158.4
[M]+ 250.99799 155.1
[M]- 250.99909 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe