CID 735854

2-chloro-n-(2,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C8H6ClF2NO
SMILES
C1=CC(=C(C=C1F)F)NC(=O)CCl
InChI
InChI=1S/C8H6ClF2NO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13)
InChIKey
TUPPVAAGWXKMRC-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

205.0106 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01788 135.8
[M+Na]+ 227.99982 145.6
[M-H]- 204.00332 137.3
[M+NH4]+ 223.04442 155.7
[M+K]+ 243.97376 141.4
[M+H-H2O]+ 188.00786 129.4
[M+HCOO]- 250.00880 154.5
[M+CH3COO]- 264.02445 186.0
[M+Na-2H]- 225.98527 140.6
[M]+ 205.01005 135.2
[M]- 205.01115 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe