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 203.1
[M+Na]+ 406.02752 215.9
[M-H]- 382.03102 212.6
[M+NH4]+ 401.07212 215.3
[M+K]+ 422.00146 207.9
[M+H-H2O]+ 366.03556 189.9
[M+HCOO]- 428.03650 212.8
[M+CH3COO]- 442.05215 221.0
[M+Na-2H]- 404.01297 201.7
[M]+ 383.03775 203.7
[M]- 383.03885 203.7
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.