CID 12847391

Methyl 1-fluoro-2-oxocyclohexane-1-carboxylate

Structural Information

Molecular Formula
C8H11FO3
SMILES
COC(=O)C1(CCCCC1=O)F
InChI
InChI=1S/C8H11FO3/c1-12-7(11)8(9)5-3-2-4-6(8)10/h2-5H2,1H3
InChIKey
RTUMZQUWNLXPOW-UHFFFAOYSA-N
Compound name
methyl 1-fluoro-2-oxocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06923 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07651 133.3
[M+Na]+ 197.05845 140.3
[M-H]- 173.06195 135.5
[M+NH4]+ 192.10305 155.4
[M+K]+ 213.03239 140.0
[M+H-H2O]+ 157.06649 128.1
[M+HCOO]- 219.06743 152.9
[M+CH3COO]- 233.08308 177.3
[M+Na-2H]- 195.04390 137.9
[M]+ 174.06868 130.4
[M]- 174.06978 130.4
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

No patent data available for this compound.