CID 14950916

855391-41-2

Structural Information

Molecular Formula
C14H15NO2S
SMILES
C1=CC=C(C=C1)C(CN)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H15NO2S/c15-11-14(12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,14H,11,15H2
InChIKey
RFWAODRUGBXLAY-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08234 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 157.3
[M+Na]+ 284.07156 169.5
[M+NH4]+ 279.11616 165.6
[M+K]+ 300.04550 161.3
[M-H]- 260.07506 161.3
[M+Na-2H]- 282.05701 166.1
[M]+ 261.08179 160.7
[M]- 261.08289 160.7
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.