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

49
Patents

171.04958 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 130.2
[M+Na]+ 194.03880 140.1
[M-H]- 170.04230 131.8
[M+NH4]+ 189.08340 150.6
[M+K]+ 210.01274 137.6
[M+H-H2O]+ 154.04684 123.2
[M+HCOO]- 216.04778 152.8
[M+CH3COO]- 230.06343 183.4
[M+Na-2H]- 192.02425 133.6
[M]+ 171.04903 126.9
[M]- 171.05013 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