CID 16608399

5-bromo-2-fluoro-n-(2-(4-methoxyphenyl)ethyl)benzamide

Structural Information

Molecular Formula
C16H15BrFNO2
SMILES
COC1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C16H15BrFNO2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)14-10-12(17)4-7-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKey
KYHUCTDFSZMBQZ-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.027 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03428 173.2
[M+Na]+ 374.01622 183.2
[M-H]- 350.01972 180.9
[M+NH4]+ 369.06082 189.7
[M+K]+ 389.99016 170.9
[M+H-H2O]+ 334.02426 170.2
[M+HCOO]- 396.02520 193.6
[M+CH3COO]- 410.04085 210.9
[M+Na-2H]- 372.00167 177.1
[M]+ 351.02645 192.1
[M]- 351.02755 192.1
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

No patent data available for this compound.