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

7
Patents

142.07939 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.086666 129.7
[M+Na]+ 165.068608 138.4
[M-H]- 141.072114 131.5
[M+NH4]+ 160.113213 160.0
[M+K]+ 181.042548 136.1
[M+H-H2O]+ 125.076650 125.7
[M+HCOO]- 187.077591 150.7
[M+CH3COO]- 201.093241 171.9
[M+Na-2H]- 163.054056 136.1
[M]+ 142.07884142 127.3
[M]- 142.07993858 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