CID 582202

2-chloro-n-(2,6-difluorophenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.0106 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe