CID 21911714

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

Structural Information

Molecular Formula
C9H8ClF2NO
SMILES
C1=CC(=C(C(=C1)F)CNC(=O)CCl)F
InChI
InChI=1S/C9H8ClF2NO/c10-4-9(14)13-5-6-7(11)2-1-3-8(6)12/h1-3H,4-5H2,(H,13,14)
InChIKey
IIJIGOITGCLHHQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2,6-difluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

219.02625 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03353 141.3
[M+Na]+ 242.01547 152.4
[M+NH4]+ 237.06007 148.4
[M+K]+ 257.98941 145.9
[M-H]- 218.01897 140.8
[M+Na-2H]- 240.00092 146.8
[M]+ 219.02570 142.7
[M]- 219.02680 142.7
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

patents stripe