CID 4576405

62429-79-2

Structural Information

Molecular Formula
C11H6Cl2INO6S
SMILES
C1=C(OC(=C1)I)C=C(C2=CC=C(O2)[N+](=O)[O-])S(=O)(=O)C(Cl)Cl
InChI
InChI=1S/C11H6Cl2INO6S/c12-11(13)22(18,19)8(5-6-1-3-9(14)20-6)7-2-4-10(21-7)15(16)17/h1-5,11H
InChIKey
OZKDTXFVTRPXJA-UHFFFAOYSA-N
Compound name
2-[2-(dichloromethylsulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-iodofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.83377 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.84105 198.8
[M+Na]+ 499.82299 200.4
[M-H]- 475.82649 200.7
[M+NH4]+ 494.86759 207.9
[M+K]+ 515.79693 199.7
[M+H-H2O]+ 459.83103 196.0
[M+HCOO]- 521.83197 204.3
[M+CH3COO]- 535.84762 205.8
[M+Na-2H]- 497.80844 189.2
[M]+ 476.83322 203.2
[M]- 476.83432 203.2
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.