CID 464834

51144-95-7

Structural Information

Molecular Formula
C10H8N2O4S
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N2C=CC=C2
InChI
InChI=1S/C10H8N2O4S/c13-12(14)9-5-1-2-6-10(9)17(15,16)11-7-3-4-8-11/h1-8H
InChIKey
YTQHREXERZGIKH-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)sulfonylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

252.02048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02776 152.3
[M+Na]+ 275.00970 160.6
[M-H]- 251.01320 158.8
[M+NH4]+ 270.05430 169.1
[M+K]+ 290.98364 153.3
[M+H-H2O]+ 235.01774 150.0
[M+HCOO]- 297.01868 172.6
[M+CH3COO]- 311.03433 181.4
[M+Na-2H]- 272.99515 159.0
[M]+ 252.01993 152.8
[M]- 252.02103 152.8
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.