CID 3058866

Brn 4478995

Structural Information

Molecular Formula
C12H9NO4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C#N
InChI
InChI=1S/C12H9NO4S/c1-16-9-2-5-11(6-3-9)18(14,15)12-7-4-10(8-13)17-12/h2-7H,1H3
InChIKey
RNXZEIGKTDHLOB-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.02524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03252 164.6
[M+Na]+ 286.01446 177.2
[M-H]- 262.01796 172.2
[M+NH4]+ 281.05906 180.7
[M+K]+ 301.98840 174.3
[M+H-H2O]+ 246.02250 152.1
[M+HCOO]- 308.02344 180.7
[M+CH3COO]- 322.03909 201.5
[M+Na-2H]- 283.99991 167.7
[M]+ 263.02469 165.4
[M]- 263.02579 165.4
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.