CID 21114306

811799-69-6

Structural Information

Molecular Formula
C8H7F2NO
SMILES
CC(=O)C1=CC(=C(C(=C1)F)N)F
InChI
InChI=1S/C8H7F2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
InChIKey
MLPXEMBDRBECQR-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

171.04958 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.056856 130.2
[M+Na]+ 194.038798 140.1
[M-H]- 170.042304 131.8
[M+NH4]+ 189.083403 150.6
[M+K]+ 210.012738 137.6
[M+H-H2O]+ 154.046840 123.2
[M+HCOO]- 216.047781 152.8
[M+CH3COO]- 230.063431 183.4
[M+Na-2H]- 192.024246 133.6
[M]+ 171.04903142 126.9
[M]- 171.05012858 126.9
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