CID 31985

2'-fluoro-2,4',5'-trichloroacetanilide

Structural Information

Molecular Formula
C8H5Cl3FNO
SMILES
C1=C(C(=CC(=C1Cl)Cl)F)NC(=O)CCl
InChI
InChI=1S/C8H5Cl3FNO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)
InChIKey
KCRLIDURMKQYFB-UHFFFAOYSA-N
Compound name
2-chloro-N-(4,5-dichloro-2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.94208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94936 145.0
[M+Na]+ 277.93130 155.8
[M-H]- 253.93480 146.2
[M+NH4]+ 272.97590 163.5
[M+K]+ 293.90524 149.7
[M+H-H2O]+ 237.93934 141.4
[M+HCOO]- 299.94028 154.2
[M+CH3COO]- 313.95593 194.4
[M+Na-2H]- 275.91675 147.8
[M]+ 254.94153 147.1
[M]- 254.94263 147.1
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.