CID 4456031

N-(4-bromo-2-fluorophenyl)-3-chloropropanamide

Structural Information

Molecular Formula
C9H8BrClFNO
SMILES
C1=CC(=C(C=C1Br)F)NC(=O)CCCl
InChI
InChI=1S/C9H8BrClFNO/c10-6-1-2-8(7(12)5-6)13-9(14)3-4-11/h1-2,5H,3-4H2,(H,13,14)
InChIKey
ZSMCIULDCHIWPQ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-fluorophenyl)-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.94617 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95345 149.0
[M+Na]+ 301.93539 161.5
[M-H]- 277.93889 154.2
[M+NH4]+ 296.97999 169.6
[M+K]+ 317.90933 148.0
[M+H-H2O]+ 261.94343 148.6
[M+HCOO]- 323.94437 166.0
[M+CH3COO]- 337.96002 195.8
[M+Na-2H]- 299.92084 154.7
[M]+ 278.94562 168.2
[M]- 278.94672 168.2
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

No patent data available for this compound.