CID 362641

Nsc626850

Structural Information

Molecular Formula
C12H9NO2S
SMILES
C1=CC=C(C(=C1)N=CC(=O)C2=CC=CO2)S
InChI
InChI=1S/C12H9NO2S/c14-10(11-5-3-7-15-11)8-13-9-4-1-2-6-12(9)16/h1-8,16H
InChIKey
FSKMEBWHONIGID-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-(2-sulfanylphenyl)iminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0354 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04268 150.0
[M+Na]+ 254.02462 159.0
[M-H]- 230.02812 159.6
[M+NH4]+ 249.06922 169.5
[M+K]+ 269.99856 157.0
[M+H-H2O]+ 214.03266 143.5
[M+HCOO]- 276.03360 172.4
[M+CH3COO]- 290.04925 190.8
[M+Na-2H]- 252.01007 153.4
[M]+ 231.03485 154.4
[M]- 231.03595 154.4
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.