CID 45051484

853407-09-7

Structural Information

Molecular Formula
C17H10ClNO4S
SMILES
C1=COC(=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C#N
InChI
InChI=1S/C17H10ClNO4S/c18-13-5-3-12(4-6-13)16-8-7-14(23-16)10-15(11-19)24(20,21)17-2-1-9-22-17/h1-10H/b15-10+
InChIKey
IODMJVUVCCNMTM-XNTDXEJSSA-N
Compound name
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(furan-2-ylsulfonyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0019 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00918 175.8
[M+Na]+ 381.99112 189.0
[M+NH4]+ 377.03572 179.6
[M+K]+ 397.96506 181.5
[M-H]- 357.99462 174.2
[M+Na-2H]- 379.97657 180.2
[M]+ 359.00135 177.2
[M]- 359.00245 177.2
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.