CID 54002317

3-fluorocyclohexanecarbaldehyde

Structural Information

Molecular Formula
C7H11FO
SMILES
C1CC(CC(C1)F)C=O
InChI
InChI=1S/C7H11FO/c8-7-3-1-2-6(4-7)5-9/h5-7H,1-4H2
InChIKey
DLELVZMSYJBVEO-UHFFFAOYSA-N
Compound name
3-fluorocyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

130.07939 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08667 124.4
[M+Na]+ 153.06861 130.8
[M-H]- 129.07211 126.2
[M+NH4]+ 148.11321 146.4
[M+K]+ 169.04255 129.7
[M+H-H2O]+ 113.07665 118.6
[M+HCOO]- 175.07759 144.6
[M+CH3COO]- 189.09324 171.4
[M+Na-2H]- 151.05406 129.5
[M]+ 130.07884 119.2
[M]- 130.07994 119.2
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