CID 1051875

374546-78-8

Structural Information

Molecular Formula
C19H12N2O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C#N
InChI
InChI=1S/C19H12N2O5S/c20-13-16(27(24,25)15-6-2-1-3-7-15)12-14-10-11-19(26-14)17-8-4-5-9-18(17)21(22)23/h1-12H/b16-12+
InChIKey
NZBQCFWHDVKIOX-FOWTUZBSSA-N
Compound name
(E)-2-(benzenesulfonyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.0467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.05398 206.9
[M+Na]+ 403.03592 215.5
[M-H]- 379.03942 215.4
[M+NH4]+ 398.08052 216.3
[M+K]+ 419.00986 206.0
[M+H-H2O]+ 363.04396 196.0
[M+HCOO]- 425.04490 221.1
[M+CH3COO]- 439.06055 215.2
[M+Na-2H]- 401.02137 208.5
[M]+ 380.04615 202.4
[M]- 380.04725 202.4
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.