CID 735801

2-chloro-n-(2,3,4-trifluorophenyl)acetamide

Structural Information

Molecular Formula
C8H5ClF3NO
SMILES
C1=CC(=C(C(=C1NC(=O)CCl)F)F)F
InChI
InChI=1S/C8H5ClF3NO/c9-3-6(14)13-5-2-1-4(10)7(11)8(5)12/h1-2H,3H2,(H,13,14)
InChIKey
AZIDVVHPGTUFEB-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3,4-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

223.00117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.008446 137.7
[M+Na]+ 245.990388 148.4
[M-H]- 221.993894 138.1
[M+NH4]+ 241.034993 157.1
[M+K]+ 261.964328 143.8
[M+H-H2O]+ 205.998430 130.5
[M+HCOO]- 267.999371 155.3
[M+CH3COO]- 282.015021 190.0
[M+Na-2H]- 243.975836 141.2
[M]+ 223.00062142 136.2
[M]- 223.00171858 136.2
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

patents stripe