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]+ 224.00121 146.9
[M+Na]+ 245.98315 155.9
[M-H]- 221.98665 155.9
[M+NH4]+ 241.02775 166.8
[M+K]+ 261.95709 151.0
[M+H-H2O]+ 205.99119 146.1
[M+HCOO]- 267.99213 170.4
[M+CH3COO]- 282.00778 177.4
[M+Na-2H]- 243.96860 151.0
[M]+ 222.99338 150.1
[M]- 222.99448 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.