CID 11200351

14347-25-2

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 167.2
[M+Na]+ 419.98757 169.7
[M+NH4]+ 415.03217 170.4
[M+K]+ 435.96151 169.0
[M-H]- 395.99107 168.5
[M+Na-2H]- 417.97302 171.8
[M]+ 396.99780 167.1
[M]- 396.99890 167.1
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