CID 472818

3-(2-nitrophenyl)sulfonylthiophen-2-amine

Structural Information

Molecular Formula
C10H8N2O4S2
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=C(SC=C2)N
InChI
InChI=1S/C10H8N2O4S2/c11-10-9(5-6-17-10)18(15,16)8-4-2-1-3-7(8)12(13)14/h1-6H,11H2
InChIKey
MMGGNJVFGKFKJV-UHFFFAOYSA-N
Compound name
3-(2-nitrophenyl)sulfonylthiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.99255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99983 158.9
[M+Na]+ 306.98177 166.5
[M-H]- 282.98527 165.5
[M+NH4]+ 302.02637 175.1
[M+K]+ 322.95571 157.2
[M+H-H2O]+ 266.98981 156.9
[M+HCOO]- 328.99075 174.7
[M+CH3COO]- 343.00640 188.7
[M+Na-2H]- 304.96722 163.2
[M]+ 283.99200 157.9
[M]- 283.99310 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.