CID 12365187

64258-99-7

Structural Information

Molecular Formula
C9H5NO4S
SMILES
C1=CSC(=C1)C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H5NO4S/c11-9(7-2-1-5-15-7)6-3-4-8(14-6)10(12)13/h1-5H
InChIKey
GSORYALEGMPDFE-UHFFFAOYSA-N
Compound name
(5-nitrofuran-2-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.99393 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.001206 146.9
[M+Na]+ 245.983148 155.9
[M-H]- 221.986654 155.9
[M+NH4]+ 241.027753 166.8
[M+K]+ 261.957088 151.0
[M+H-H2O]+ 205.991190 146.1
[M+HCOO]- 267.992131 170.4
[M+CH3COO]- 282.007781 177.4
[M+Na-2H]- 243.968596 151.0
[M]+ 222.99338142 150.1
[M]- 222.99447858 150.1
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.