CID 487028

3-(4-chlorophenyl)sulfonylthiophen-2-amine

Structural Information

Molecular Formula
C10H8ClNO2S2
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)N)Cl
InChI
InChI=1S/C10H8ClNO2S2/c11-7-1-3-8(4-2-7)16(13,14)9-5-6-15-10(9)12/h1-6H,12H2
InChIKey
YAPYANGNOCTWJQ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfonylthiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.9685 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.97578 157.4
[M+Na]+ 295.95772 168.5
[M-H]- 271.96122 164.7
[M+NH4]+ 291.00232 176.8
[M+K]+ 311.93166 161.7
[M+H-H2O]+ 255.96576 152.9
[M+HCOO]- 317.96670 168.2
[M+CH3COO]- 331.98235 191.5
[M+Na-2H]- 293.94317 158.4
[M]+ 272.96795 161.0
[M]- 272.96905 161.0
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.