CID 25323345

2-chloro-n-{[4-(difluoromethoxy)phenyl]methyl}acetamide

Structural Information

Molecular Formula
C10H10ClF2NO2
SMILES
C1=CC(=CC=C1CNC(=O)CCl)OC(F)F
InChI
InChI=1S/C10H10ClF2NO2/c11-5-9(15)14-6-7-1-3-8(4-2-7)16-10(12)13/h1-4,10H,5-6H2,(H,14,15)
InChIKey
OZVGVGAYMOBVCO-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.03682 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04410 148.5
[M+Na]+ 272.02604 156.2
[M-H]- 248.02954 149.3
[M+NH4]+ 267.07064 166.2
[M+K]+ 287.99998 152.4
[M+H-H2O]+ 232.03408 141.3
[M+HCOO]- 294.03502 165.8
[M+CH3COO]- 308.05067 193.7
[M+Na-2H]- 270.01149 151.7
[M]+ 249.03627 149.1
[M]- 249.03737 149.1
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.