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

20
Patents

250.99854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.005816 152.5
[M+Na]+ 273.987758 160.9
[M-H]- 249.991264 160.3
[M+NH4]+ 269.032363 169.7
[M+K]+ 289.961698 154.4
[M+H-H2O]+ 233.995800 151.5
[M+HCOO]- 295.996741 173.6
[M+CH3COO]- 310.012391 184.4
[M+Na-2H]- 271.973206 158.4
[M]+ 250.99799142 155.1
[M]- 250.99908858 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

No literature data available for this compound.

Patent stripe

patents stripe