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]+ 214.10381 144.7
[M+Na]+ 236.08575 152.2
[M-H]- 212.08925 146.0
[M+NH4]+ 231.13035 163.4
[M+K]+ 252.05969 149.8
[M+H-H2O]+ 196.09379 137.0
[M+HCOO]- 258.09473 166.0
[M+CH3COO]- 272.11038 192.1
[M+Na-2H]- 234.07120 147.0
[M]+ 213.09598 142.4
[M]- 213.09708 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