CID 19023729

155557-12-3

Structural Information

Molecular Formula
C7H6FNO
SMILES
C1=CC(=CN=C1)C(=O)CF
InChI
InChI=1S/C7H6FNO/c8-4-7(10)6-2-1-3-9-5-6/h1-3,5H,4H2
InChIKey
UFHQCGXMZJAGNG-UHFFFAOYSA-N
Compound name
2-fluoro-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.04333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05061 123.6
[M+Na]+ 162.03255 132.0
[M-H]- 138.03605 124.7
[M+NH4]+ 157.07715 143.8
[M+K]+ 178.00649 130.5
[M+H-H2O]+ 122.04059 116.6
[M+HCOO]- 184.04153 146.0
[M+CH3COO]- 198.05718 172.6
[M+Na-2H]- 160.01800 131.3
[M]+ 139.04278 122.3
[M]- 139.04388 122.3
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