CID 324746

40941-17-1

Structural Information

Molecular Formula
C11H9NO5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO5S/c13-12(14)11-7-6-9(17-11)8-18(15,16)10-4-2-1-3-5-10/h1-7H,8H2
InChIKey
BULZZUJNSQZAJI-UHFFFAOYSA-N
Compound name
2-(benzenesulfonylmethyl)-5-nitrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02014 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.02742 156.1
[M+Na]+ 290.00936 163.9
[M-H]- 266.01286 164.4
[M+NH4]+ 285.05396 172.3
[M+K]+ 305.98330 158.0
[M+H-H2O]+ 250.01740 154.5
[M+HCOO]- 312.01834 176.8
[M+CH3COO]- 326.03399 184.0
[M+Na-2H]- 287.99481 163.3
[M]+ 267.01959 158.5
[M]- 267.02069 158.5
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.