CID 5496910

N-[(1r)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide

Structural Information

Molecular Formula
C15H13BrFNO2
SMILES
C[C@H](C1=CC=C(C=C1)Br)NC(=O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKey
KFTNEILVDDUXGR-SECBINFHSA-N
Compound name
N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

337.01138 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01866 169.5
[M+Na]+ 360.00060 179.2
[M-H]- 336.00410 176.1
[M+NH4]+ 355.04520 185.7
[M+K]+ 375.97454 166.7
[M+H-H2O]+ 320.00864 166.9
[M+HCOO]- 382.00958 187.8
[M+CH3COO]- 396.02523 206.7
[M+Na-2H]- 357.98605 172.2
[M]+ 337.01083 185.7
[M]- 337.01193 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe