CID 67593

N-(4-bromo-2-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
CC(=O)NC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
BCYGKMDWQBWUSC-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

230.9695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.976776 139.5
[M+Na]+ 253.958718 151.3
[M-H]- 229.962224 145.0
[M+NH4]+ 249.003323 161.0
[M+K]+ 269.932658 140.1
[M+H-H2O]+ 213.966760 138.4
[M+HCOO]- 275.967701 161.1
[M+CH3COO]- 289.983351 189.5
[M+Na-2H]- 251.944166 146.0
[M]+ 230.96895142 156.4
[M]- 230.97004858 156.4
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