CID 2737628

N-(2,4-difluorophenyl)-n-methylacetamide

Structural Information

Molecular Formula
C9H9F2NO
SMILES
CC(=O)N(C)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H9F2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3
InChIKey
XWGIBKPPTIGDDI-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

185.06522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.072496 134.5
[M+Na]+ 208.054438 143.3
[M-H]- 184.057944 137.6
[M+NH4]+ 203.099043 155.1
[M+K]+ 224.028378 142.3
[M+H-H2O]+ 168.062480 126.9
[M+HCOO]- 230.063421 157.9
[M+CH3COO]- 244.079071 188.7
[M+Na-2H]- 206.039886 138.5
[M]+ 185.06467142 133.4
[M]- 185.06576858 133.4
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