CID 2772077

638160-09-5

Structural Information

Molecular Formula
C11H5Cl2NO4
SMILES
C1=CC(=C(C=C1C2=CC=C(O2)C(=O)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H5Cl2NO4/c12-7-2-1-6(5-8(7)14(16)17)9-3-4-10(18-9)11(13)15/h1-5H
InChIKey
YASHGRDOYUBRTA-UHFFFAOYSA-N
Compound name
5-(4-chloro-3-nitrophenyl)furan-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.95956 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.96684 155.1
[M+Na]+ 307.94878 170.5
[M+NH4]+ 302.99338 163.3
[M+K]+ 323.92272 168.2
[M-H]- 283.95228 160.5
[M+Na-2H]- 305.93423 161.9
[M]+ 284.95901 159.4
[M]- 284.96011 159.4
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.