CID 60739318

N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide

Structural Information

Molecular Formula
C11H13F2NO
SMILES
CC(C)C(=O)NCC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C11H13F2NO/c1-7(2)11(15)14-6-8-3-4-9(12)5-10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKey
GRNQKYIABSYVGA-UHFFFAOYSA-N
Compound name
N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.09653 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.103806 144.7
[M+Na]+ 236.085748 152.2
[M-H]- 212.089254 146.0
[M+NH4]+ 231.130353 163.4
[M+K]+ 252.059688 149.8
[M+H-H2O]+ 196.093790 137.0
[M+HCOO]- 258.094731 166.0
[M+CH3COO]- 272.110381 192.1
[M+Na-2H]- 234.071196 147.0
[M]+ 213.09598142 142.4
[M]- 213.09707858 142.4
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