CID 24212783

853330-82-2

Structural Information

Molecular Formula
C19H15BrFNO2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)NC3=CC=C(C=C3)F)Br
InChI
InChI=1S/C19H15BrFNO2/c20-14-3-1-13(2-4-14)18-11-9-17(24-18)10-12-19(23)22-16-7-5-15(21)6-8-16/h1-9,11H,10,12H2,(H,22,23)
InChIKey
CTFXPHRNUBZSAL-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(4-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.027 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.03428 187.2
[M+Na]+ 410.01622 197.2
[M-H]- 386.01972 198.6
[M+NH4]+ 405.06082 202.5
[M+K]+ 425.99016 185.5
[M+H-H2O]+ 370.02426 184.2
[M+HCOO]- 432.02520 207.9
[M+CH3COO]- 446.04085 215.4
[M+Na-2H]- 408.00167 189.7
[M]+ 387.02645 206.1
[M]- 387.02755 206.1
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.