CID 43699343

2-chloro-n-(2-fluoro-5-methanesulfonylphenyl)acetamide

Structural Information

Molecular Formula
C9H9ClFNO3S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)CCl
InChI
InChI=1S/C9H9ClFNO3S/c1-16(14,15)6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
YMXIBLOXIWMPHD-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.99756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.00484 149.8
[M+Na]+ 287.98678 159.5
[M-H]- 263.99028 153.0
[M+NH4]+ 283.03138 167.8
[M+K]+ 303.96072 154.8
[M+H-H2O]+ 247.99482 144.4
[M+HCOO]- 309.99576 163.1
[M+CH3COO]- 324.01141 192.9
[M+Na-2H]- 285.97223 152.7
[M]+ 264.99701 153.7
[M]- 264.99811 153.7
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.