CID 2534973

N-[4-(2-chloroacetyl)-3-fluorophenyl]acetamide

Structural Information

Molecular Formula
C10H9ClFNO2
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)CCl)F
InChI
InChI=1S/C10H9ClFNO2/c1-6(14)13-7-2-3-8(9(12)4-7)10(15)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKey
RAJWOIQWWWLQQJ-UHFFFAOYSA-N
Compound name
N-[4-(2-chloroacetyl)-3-fluorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.03058 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03786 144.5
[M+Na]+ 252.01980 153.5
[M-H]- 228.02330 147.3
[M+NH4]+ 247.06440 163.4
[M+K]+ 267.99374 149.6
[M+H-H2O]+ 212.02784 138.8
[M+HCOO]- 274.02878 163.2
[M+CH3COO]- 288.04443 191.3
[M+Na-2H]- 250.00525 147.7
[M]+ 229.03003 146.0
[M]- 229.03113 146.0
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

No patent data available for this compound.