CID 487027

3-(benzenesulfonyl)thiophen-2-amine

Structural Information

Molecular Formula
C10H9NO2S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)N
InChI
InChI=1S/C10H9NO2S2/c11-10-9(6-7-14-10)15(12,13)8-4-2-1-3-5-8/h1-7H,11H2
InChIKey
XFLNJHYZUWOQJS-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)thiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

239.00748 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01476 150.7
[M+Na]+ 261.99670 160.6
[M-H]- 238.00020 157.5
[M+NH4]+ 257.04130 170.3
[M+K]+ 277.97064 155.2
[M+H-H2O]+ 222.00474 145.1
[M+HCOO]- 284.00568 166.1
[M+CH3COO]- 298.02133 186.6
[M+Na-2H]- 259.98215 152.8
[M]+ 239.00693 152.1
[M]- 239.00803 152.1
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

patents stripe