CID 45079640

1-(5-fluoropyridin-3-yl)ethanone

Structural Information

Molecular Formula
C7H6FNO
SMILES
CC(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C7H6FNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
InChIKey
ZFUZBTNPVIGXTL-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

139.04333 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05061 123.0
[M+Na]+ 162.03255 132.3
[M-H]- 138.03605 124.5
[M+NH4]+ 157.07715 143.5
[M+K]+ 178.00649 130.8
[M+H-H2O]+ 122.04059 116.2
[M+HCOO]- 184.04153 145.4
[M+CH3COO]- 198.05718 173.7
[M+Na-2H]- 160.01800 130.0
[M]+ 139.04278 122.1
[M]- 139.04388 122.1
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