CID 487030

2-thiophenamine, 3-[(4-methylphenyl)sulfonyl]-

Structural Information

Molecular Formula
C11H11NO2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)N
InChI
InChI=1S/C11H11NO2S2/c1-8-2-4-9(5-3-8)16(13,14)10-6-7-15-11(10)12/h2-7H,12H2,1H3
InChIKey
PRMUNYNCJVLDDI-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfonylthiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.02312 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03040 154.6
[M+Na]+ 276.01234 164.7
[M-H]- 252.01584 161.6
[M+NH4]+ 271.05694 173.9
[M+K]+ 291.98628 159.2
[M+H-H2O]+ 236.02038 149.0
[M+HCOO]- 298.02132 169.5
[M+CH3COO]- 312.03697 190.7
[M+Na-2H]- 273.99779 155.6
[M]+ 253.02257 156.7
[M]- 253.02367 156.7
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.