CID 688184

1009-22-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

230.9695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97678 139.5
[M+Na]+ 253.95872 151.3
[M-H]- 229.96222 145.0
[M+NH4]+ 249.00332 161.0
[M+K]+ 269.93266 140.1
[M+H-H2O]+ 213.96676 138.4
[M+HCOO]- 275.96770 161.1
[M+CH3COO]- 289.98335 189.5
[M+Na-2H]- 251.94417 146.0
[M]+ 230.96895 156.4
[M]- 230.97005 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