CID 13563532

2343-25-1

Structural Information

Molecular Formula
C8H8FNO
SMILES
CC(=O)C1=C(C=CC(=C1)F)N
InChI
InChI=1S/C8H8FNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,10H2,1H3
InChIKey
JCBLTXXNEXJVFT-UHFFFAOYSA-N
Compound name
1-(2-amino-5-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

153.05899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066266 128.0
[M+Na]+ 176.048208 136.9
[M-H]- 152.051714 130.6
[M+NH4]+ 171.092813 148.9
[M+K]+ 192.022148 134.8
[M+H-H2O]+ 136.056250 121.8
[M+HCOO]- 198.057191 151.7
[M+CH3COO]- 212.072841 179.4
[M+Na-2H]- 174.033656 132.7
[M]+ 153.05844142 125.5
[M]- 153.05953858 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe