CID 2773316

351-30-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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

No literature data available for this compound.

Patent stripe

patents stripe