CID 11200351

N-(2-(benzyloxy)-5-(2-bromoacetyl)phenyl)methanesulfonamide

Structural Information

Molecular Formula
C16H16BrNO4S
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)CBr)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16BrNO4S/c1-23(20,21)18-14-9-13(15(19)10-17)7-8-16(14)22-11-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3
InChIKey
MSZJJGHZRBKVHQ-UHFFFAOYSA-N
Compound name
N-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

396.99835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.00563 173.0
[M+Na]+ 419.98757 182.9
[M-H]- 395.99107 181.9
[M+NH4]+ 415.03217 187.9
[M+K]+ 435.96151 170.4
[M+H-H2O]+ 379.99561 171.1
[M+HCOO]- 441.99655 189.0
[M+CH3COO]- 456.01220 214.3
[M+Na-2H]- 417.97302 178.0
[M]+ 396.99780 195.6
[M]- 396.99890 195.6
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