CID 1051888

374611-66-2

Structural Information

Molecular Formula
C20H14ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C#N
InChI
InChI=1S/C20H14ClNO3S/c1-14-2-9-18(10-3-14)26(23,24)19(13-22)12-17-8-11-20(25-17)15-4-6-16(21)7-5-15/h2-12H,1H3/b19-12+
InChIKey
VLVXFZBVYOLNGR-XDHOZWIPSA-N
Compound name
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

383.0383 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.04558 183.9
[M+Na]+ 406.02752 198.0
[M+NH4]+ 401.07212 188.1
[M+K]+ 422.00146 187.4
[M-H]- 382.03102 182.2
[M+Na-2H]- 404.01297 189.3
[M]+ 383.03775 185.5
[M]- 383.03885 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.