CID 487029

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

Structural Information

Molecular Formula
C10H8FNO2S2
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C2=C(SC=C2)N
InChI
InChI=1S/C10H8FNO2S2/c11-7-1-3-8(4-2-7)16(13,14)9-5-6-15-10(9)12/h1-6H,12H2
InChIKey
XLJIVTMBKBOFPW-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfonylthiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.99805 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00533 152.0
[M+Na]+ 279.98727 162.6
[M-H]- 255.99077 157.7
[M+NH4]+ 275.03187 171.0
[M+K]+ 295.96121 156.8
[M+H-H2O]+ 239.99531 145.6
[M+HCOO]- 301.99625 166.3
[M+CH3COO]- 316.01190 190.4
[M+Na-2H]- 277.97272 153.0
[M]+ 256.99750 152.8
[M]- 256.99860 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

literature stripe

Patent stripe

No patent data available for this compound.