CID 43418367

4-bromo-2-fluoro-n-(2-hydroxypropyl)benzamide

Structural Information

Molecular Formula
C10H11BrFNO2
SMILES
CC(CNC(=O)C1=C(C=C(C=C1)Br)F)O
InChI
InChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKey
STFLVYJZYOBMAB-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

274.99573 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00301 152.9
[M+Na]+ 297.98495 162.9
[M-H]- 273.98845 156.6
[M+NH4]+ 293.02955 171.8
[M+K]+ 313.95889 151.3
[M+H-H2O]+ 257.99299 151.3
[M+HCOO]- 319.99393 171.5
[M+CH3COO]- 334.00958 195.5
[M+Na-2H]- 295.97040 156.5
[M]+ 274.99518 169.3
[M]- 274.99628 169.3
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