CID 9813

N-(5-chloro-2-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7ClFNO
SMILES
CC(=O)NC1=C(C=CC(=C1)Cl)F
InChI
InChI=1S/C8H7ClFNO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
UPSPWQXTRIIBEC-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

187.02002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02730 133.7
[M+Na]+ 210.00924 146.3
[M+NH4]+ 205.05384 142.0
[M+K]+ 225.98318 139.8
[M-H]- 186.01274 134.9
[M+Na-2H]- 207.99469 140.4
[M]+ 187.01947 136.0
[M]- 187.02057 136.0
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