CID 12666453

2-fluorocycloheptan-1-one

Structural Information

Molecular Formula
C7H11FO
SMILES
C1CCC(C(=O)CC1)F
InChI
InChI=1S/C7H11FO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2
InChIKey
NRNLUXWVGFXALA-UHFFFAOYSA-N
Compound name
2-fluorocycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

130.07939 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08667 117.3
[M+Na]+ 153.06861 121.6
[M-H]- 129.07211 120.3
[M+NH4]+ 148.11321 137.7
[M+K]+ 169.04255 124.9
[M+H-H2O]+ 113.07665 112.5
[M+HCOO]- 175.07759 136.9
[M+CH3COO]- 189.09324 173.8
[M+Na-2H]- 151.05406 122.5
[M]+ 130.07884 109.3
[M]- 130.07994 109.3
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