CID 28560459

N-[(1s)-1-(4-bromophenyl)ethyl]methanesulfonamide

Structural Information

Molecular Formula
C9H12BrNO2S
SMILES
C[C@@H](C1=CC=C(C=C1)Br)NS(=O)(=O)C
InChI
InChI=1S/C9H12BrNO2S/c1-7(11-14(2,12)13)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
InChIKey
VBKJAUSXTKHUMT-ZETCQYMHSA-N
Compound name
N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

276.9772 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98448 139.7
[M+Na]+ 299.96642 141.4
[M+NH4]+ 295.01102 144.0
[M+K]+ 315.94036 141.5
[M-H]- 275.96992 139.7
[M+Na-2H]- 297.95187 143.0
[M]+ 276.97665 139.1
[M]- 276.97775 139.1
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

patents stripe