CID 165986329

4-fluorobicyclo[2.2.1]heptane-1-carbaldehyde

Structural Information

Molecular Formula
C8H11FO
SMILES
C1CC2(CCC1(C2)C=O)F
InChI
InChI=1S/C8H11FO/c9-8-3-1-7(5-8,6-10)2-4-8/h6H,1-5H2
InChIKey
AQBCDYDANWUYTN-UHFFFAOYSA-N
Compound name
4-fluorobicyclo[2.2.1]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.07939 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08667 129.7
[M+Na]+ 165.06861 138.4
[M-H]- 141.07211 131.5
[M+NH4]+ 160.11321 160.0
[M+K]+ 181.04255 136.1
[M+H-H2O]+ 125.07665 125.7
[M+HCOO]- 187.07759 150.7
[M+CH3COO]- 201.09324 171.9
[M+Na-2H]- 163.05406 136.1
[M]+ 142.07884 127.3
[M]- 142.07994 127.3
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