CID 43549783

N-(5-amino-2,4-difluorophenyl)acetamide

Structural Information

Molecular Formula
C8H8F2N2O
SMILES
CC(=O)NC1=C(C=C(C(=C1)N)F)F
InChI
InChI=1S/C8H8F2N2O/c1-4(13)12-8-3-7(11)5(9)2-6(8)10/h2-3H,11H2,1H3,(H,12,13)
InChIKey
NFYRSQRTACVHAZ-UHFFFAOYSA-N
Compound name
N-(5-amino-2,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

186.06047 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06775 135.1
[M+Na]+ 209.04969 144.2
[M-H]- 185.05319 136.6
[M+NH4]+ 204.09429 154.6
[M+K]+ 225.02363 141.6
[M+H-H2O]+ 169.05773 127.6
[M+HCOO]- 231.05867 158.6
[M+CH3COO]- 245.07432 187.7
[M+Na-2H]- 207.03514 138.7
[M]+ 186.05992 130.9
[M]- 186.06102 130.9
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