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

11
Patents

185.06522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 134.5
[M+Na]+ 208.05444 143.3
[M-H]- 184.05794 137.6
[M+NH4]+ 203.09904 155.1
[M+K]+ 224.02838 142.3
[M+H-H2O]+ 168.06248 126.9
[M+HCOO]- 230.06342 157.9
[M+CH3COO]- 244.07907 188.7
[M+Na-2H]- 206.03989 138.5
[M]+ 185.06467 133.4
[M]- 185.06577 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