CID 26985446

1210255-19-8

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1=CC(=C(C(=C1)F)C(=O)CN)F
InChI
InChI=1S/C8H7F2NO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2
InChIKey
CLJFCMPUSKIUHO-UHFFFAOYSA-N
Compound name
2-amino-1-(2,6-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.056856 130.7
[M+Na]+ 194.038798 139.7
[M-H]- 170.042304 131.9
[M+NH4]+ 189.083403 150.8
[M+K]+ 210.012738 137.1
[M+H-H2O]+ 154.046840 123.5
[M+HCOO]- 216.047781 153.3
[M+CH3COO]- 230.063431 182.2
[M+Na-2H]- 192.024246 134.8
[M]+ 171.04903142 127.0
[M]- 171.05012858 127.0
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

No patent data available for this compound.