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 196.3
[M+Na]+ 381.99112 210.4
[M-H]- 357.99462 206.9
[M+NH4]+ 377.03572 209.7
[M+K]+ 397.96506 204.6
[M+H-H2O]+ 341.99916 184.1
[M+HCOO]- 404.00010 208.3
[M+CH3COO]- 418.01575 207.0
[M+Na-2H]- 379.97657 195.8
[M]+ 359.00135 199.3
[M]- 359.00245 199.3
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.