CID 11298004

80458-99-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.04333 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.050606 123.6
[M+Na]+ 162.032548 132.0
[M-H]- 138.036054 124.7
[M+NH4]+ 157.077153 143.8
[M+K]+ 178.006488 130.5
[M+H-H2O]+ 122.040590 116.6
[M+HCOO]- 184.041531 146.0
[M+CH3COO]- 198.057181 172.6
[M+Na-2H]- 160.017996 131.3
[M]+ 139.04278142 122.3
[M]- 139.04387858 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